Monomers
N-Allylstearamide
Identifiers
IUPAC name
N-prop-2-enyloctadecanamide
InchI
InChI=1S/C21H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22-20-4-2/h4H,2-3,5-20H2,1H3,(H,22,23)
InchI Key
HKKGHYAJDLYYNC-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Isomeric SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C21H41NO
Heavy Atom Count
23
Molecular Weight
323.565
Exact Molecular Weight
323.3188
Valence Electrons
136
Radical Electrons
0
tPSA
29.1
MolLogP
6.5501
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
64 63 0 0 0 0 0 0 0 0999 V2000
8.8733 -0.9299 1.9288 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9830 -1.0732 0.6903 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5502 -0.7810 1.0569 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6719 -0.9409 -0.1786 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0414 -0.0208 -1.2935 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2417 -0.0316 -2.5079 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9055 0.5214 -2.6296 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7738 0.2414 -1.7119 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8607 0.9783 -0.4357 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9168 0.7331 0.6566 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4796 0.9715 0.5881 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2794 0.1957 -0.4052 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7934 0.4837 -0.3018 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4371 -0.3747 -1.3719 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9365 -0.1558 -1.3459 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5337 -0.5247 -0.0151 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0119 -0.2764 -0.0851 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6973 -0.6105 1.1835 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0718 -1.0419 2.1587 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.1295 -0.4188 1.2571 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.8457 -0.7272 2.4652 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.2900 -0.4614 2.3294 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.9238 -0.0054 1.2868 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9048 -0.7914 1.5768 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4940 -0.0096 2.4462 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7661 -1.8244 2.5441 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0541 -2.0692 0.2434 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3809 -0.3125 -0.0264 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2239 -1.4608 1.8549 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4459 0.2762 1.3901 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9428 -1.9956 -0.6121 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6462 -1.0647 0.0931 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1392 -0.1799 -1.5798 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0768 1.0256 -0.8692 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9323 0.4538 -3.3295 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2234 -1.1212 -2.9465 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5753 0.2808 -3.7252 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9919 1.6797 -2.7357 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8544 0.4644 -2.3147 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6834 -0.8806 -1.5477 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6711 2.1208 -0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8795 1.0522 -0.0413 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1278 -0.3226 1.0952 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3328 1.3557 1.5475 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0114 0.7274 1.6077 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2695 2.0848 0.4533 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0660 0.5574 -1.4495 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0703 -0.8638 -0.3631 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9672 1.5557 -0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0722 0.2043 0.7134 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9984 -0.0605 -2.3394 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1585 -1.4153 -1.2121 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3641 -0.8605 -2.0955 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2110 0.8560 -1.6574 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1018 0.0615 0.8282 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3033 -1.5872 0.2116 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4370 -0.8603 -0.9429 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1460 0.8023 -0.3563 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5499 -0.0530 0.3821 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4990 -0.0625 3.3166 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6473 -1.7863 2.7936 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9558 -0.6660 3.2146 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.9939 0.1481 1.3121 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4332 0.2359 0.3726 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
16 17 1 0
17 18 1 0
18 19 2 0
18 20 1 0
20 21 1 0
21 22 1 0
22 23 2 3
1 24 1 0
1 25 1 0
1 26 1 0
2 27 1 0
2 28 1 0
3 29 1 0
3 30 1 0
4 31 1 0
4 32 1 0
5 33 1 0
5 34 1 0
6 35 1 0
6 36 1 0
7 37 1 0
7 38 1 0
8 39 1 0
8 40 1 0
9 41 1 0
9 42 1 0
10 43 1 0
10 44 1 0
11 45 1 0
11 46 1 0
12 47 1 0
12 48 1 0
13 49 1 0
13 50 1 0
14 51 1 0
14 52 1 0
15 53 1 0
15 54 1 0
16 55 1 0
16 56 1 0
17 57 1 0
17 58 1 0
20 59 1 0
21 60 1 0
21 61 1 0
22 62 1 0
23 63 1 0
23 64 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers