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
-7.9678 2.3187 1.0706 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5369 0.9394 0.8673 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5028 0.0192 0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3263 -0.0544 1.1686 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2292 -0.9397 0.6605 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6624 -0.5035 -0.6614 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0747 0.8651 -0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9498 1.0561 0.3411 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8256 0.1322 0.0052 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6497 0.2875 0.9555 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4090 -0.7092 0.4921 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6162 -0.6033 1.4056 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6881 -1.5650 0.9925 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1330 -1.2739 -0.4156 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2307 -2.2649 -0.8262 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6191 -1.9136 -2.2297 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1437 -0.5325 -2.4171 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3634 -0.2966 -1.6142 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9131 -1.1488 -0.8704 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0121 0.9924 -1.6506 N 0 0 0 0 0 0 0 0 0 0 0 0
8.2124 1.2453 -0.8685 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9770 1.0623 0.5808 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1779 2.1074 1.3911 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.8561 3.0090 1.1655 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4183 2.6805 0.1612 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3215 2.4146 1.9464 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4264 1.0223 0.2115 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8697 0.5483 1.8273 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1904 0.3693 -0.7558 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9947 -0.9560 0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6858 -0.4965 2.1238 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9850 0.9678 1.4153 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7001 -1.9502 0.4788 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4599 -1.0997 1.4141 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4708 -0.4939 -1.4250 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8974 -1.2309 -0.9686 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8393 1.6580 -0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6501 1.0613 -1.6534 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2706 0.8304 1.3845 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6303 2.1140 0.3188 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4500 0.3162 -1.0191 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1966 -0.9271 0.0805 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9376 0.1321 2.0084 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2839 1.3290 0.8565 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0325 -1.7482 0.5762 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6434 -0.4424 -0.5478 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9675 0.4301 1.5006 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2631 -0.9421 2.4238 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5726 -1.3658 1.6493 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4104 -2.6141 1.1585 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3360 -1.3938 -1.1674 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6079 -0.2764 -0.4179 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7432 -3.2805 -0.8757 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0452 -2.2873 -0.0988 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6873 -2.0009 -2.8549 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3303 -2.6364 -2.6782 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4380 -0.4293 -3.4826 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3669 0.2398 -2.2417 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5679 1.7155 -2.2652 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0511 0.5713 -1.1606 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5324 2.2698 -1.1046 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6554 0.1136 0.9522 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0098 1.9835 2.4421 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5034 3.0659 1.0115 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