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
-9.3492 1.6760 1.5674 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.3209 0.8949 0.2775 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2152 -0.1573 0.3445 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8653 0.5084 0.5513 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8118 -0.5474 0.6116 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4163 -0.0237 0.8176 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0381 0.8897 -0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6702 1.4733 -0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6327 0.3557 -0.1823 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2443 0.8903 -0.0856 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7679 -0.2123 -0.0475 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6984 -1.0418 -1.2786 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6995 -2.1794 -1.3270 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0916 -1.5680 -1.2564 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1562 -2.6114 -1.3096 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5167 -1.9905 -1.2752 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7123 -1.2111 -0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0984 -0.6426 -0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8360 -0.8752 -0.9803 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5622 0.1414 1.0681 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9042 0.7114 1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0496 1.6098 -0.0735 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3111 2.8819 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.3834 1.9702 1.8426 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8434 1.1452 2.3998 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7952 2.6247 1.4056 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1764 1.5180 -0.6137 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2897 0.3693 0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3969 -0.8337 1.2048 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1584 -0.6913 -0.6242 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8938 1.1195 1.4654 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7109 1.2141 -0.3026 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8425 -1.1510 -0.3198 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0445 -1.2034 1.4804 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3270 0.4805 1.7921 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7533 -0.9324 0.8021 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7537 1.7498 -0.3546 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1341 0.3042 -1.2542 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4566 2.0646 -1.1122 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5001 2.0775 0.6907 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8419 -0.3276 0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8059 -0.1865 -1.1458 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1190 1.6122 0.7499 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0432 1.4677 -1.0303 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5806 -0.7919 0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7536 0.2795 0.1164 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3276 -1.4725 -1.3426 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8226 -0.4364 -2.1978 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6326 -2.6689 -2.3189 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5889 -2.8802 -0.4982 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2520 -0.8413 -2.0706 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2144 -1.0214 -0.2891 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0251 -3.2331 -0.3752 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0306 -3.3198 -2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2459 -2.8557 -1.3317 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6929 -1.3404 -2.1817 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9816 -0.3715 0.0687 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5890 -1.8071 0.8981 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8884 0.3045 1.8661 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5971 -0.1669 1.0122 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0786 1.2105 2.0525 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9341 1.1855 -1.0832 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4173 3.2602 1.1198 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4323 3.6036 -0.6835 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