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
7.6171 2.8976 2.1352 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4164 2.0882 1.1388 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9281 0.6728 1.0277 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4945 0.6244 0.5831 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0432 -0.8134 0.4841 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5964 -0.9141 0.0368 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6575 -0.2375 0.9662 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2407 -0.3856 0.4819 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0963 0.2350 -0.8660 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6279 0.0863 -1.3011 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2166 -1.3443 -1.3807 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2413 -1.4071 -1.8434 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1614 -0.7084 -0.9013 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5987 -0.7768 -1.4622 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0175 -2.1691 -1.5951 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3697 -2.5340 -2.0790 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4731 -2.0037 -1.2368 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6047 -0.5451 -1.3426 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1700 0.1435 -2.2975 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.2712 0.2129 -0.3084 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.4213 1.6315 -0.3712 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1450 2.0803 0.8402 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5745 2.9333 1.6702 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7025 2.4970 3.1624 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0394 3.9250 2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5588 2.9840 1.8920 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3529 2.5997 0.1587 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4702 2.1034 1.4738 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9676 0.2256 2.0509 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6212 0.1231 0.3801 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4122 1.0512 -0.4517 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8807 1.1482 1.3162 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6929 -1.3135 -0.2623 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1966 -1.2949 1.4514 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5731 -0.4982 -0.9938 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3329 -1.9763 -0.0292 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6810 -0.7160 1.9865 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8409 0.8498 1.0847 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5224 0.1189 1.1655 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0203 -1.4728 0.4082 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3365 1.3076 -0.8679 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7146 -0.2970 -1.6245 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0489 0.6216 -0.5194 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5445 0.5597 -2.2825 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8438 -1.8890 -2.1119 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2312 -1.8623 -0.3995 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3787 -1.0235 -2.8585 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4878 -2.5093 -1.7710 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1879 -1.2048 0.1067 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9141 0.3490 -0.6924 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1720 -0.1815 -0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5822 -0.1862 -2.4150 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2789 -2.6781 -2.3220 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7689 -2.7038 -0.6348 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5524 -2.1060 -3.1225 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4424 -3.6440 -2.2328 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4598 -2.4389 -1.6136 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3872 -2.3351 -0.1649 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6361 -0.3604 0.4921 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4407 2.1574 -0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0117 1.9754 -1.2489 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1358 1.7226 1.0606 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5808 3.3089 1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0544 3.2970 2.5713 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