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
8.0336 -1.9152 0.7637 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9563 -2.9584 0.6472 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6122 -2.2831 0.8452 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5739 -1.6505 2.2054 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2524 -0.9648 2.4558 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0168 0.1339 1.4161 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7019 0.8246 1.6600 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4366 1.9087 0.6658 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3822 1.4306 -0.7584 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1116 2.5403 -1.7199 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8048 3.2481 -1.4729 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3085 2.2175 -1.6043 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6593 2.8408 -1.3763 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7282 1.8040 -1.5448 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5516 0.6985 -0.5694 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6196 -0.3896 -0.6642 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9523 0.1537 -0.4122 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0674 -0.8091 -0.4671 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7693 -2.0083 -0.7254 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.4155 -0.4869 -0.2551 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.4640 -1.5031 -0.3274 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2196 -2.5532 0.6739 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0952 -2.8236 1.6313 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6162 -0.8891 0.5496 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3546 -1.8932 1.8239 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8952 -2.0925 0.1021 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9785 -3.3795 -0.3961 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1473 -3.7554 1.3775 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5720 -1.4978 0.0346 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8064 -3.0280 0.6993 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6573 -2.4828 2.9508 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4264 -0.9572 2.2727 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4177 -1.6899 2.3952 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2404 -0.4932 3.4589 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9772 -0.2936 0.3956 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8364 0.8650 1.4533 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7020 1.2611 2.6785 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8623 0.0790 1.6069 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4525 2.3752 0.9359 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2378 2.6822 0.7165 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4124 1.0406 -1.0226 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6755 0.5801 -0.8939 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9719 3.2458 -1.6716 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1191 2.0879 -2.7516 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6849 4.0453 -2.2163 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8336 3.7008 -0.4849 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1414 1.4698 -0.7732 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3092 1.7309 -2.5913 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6296 3.2203 -0.3097 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8225 3.7340 -2.0195 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5880 1.4009 -2.5935 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7477 2.2391 -1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5792 0.1569 -0.7910 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4497 1.0357 0.4743 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4612 -0.8782 -1.6409 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3211 -1.1493 0.1014 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9667 0.6000 0.6136 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2226 0.9841 -1.0955 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6413 0.5056 -0.0438 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4621 -1.0715 -0.2578 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3199 -1.9865 -1.3381 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3015 -3.1279 0.6373 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9187 -3.5919 2.3656 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0267 -2.2378 1.6654 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