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
10.0622 0.3278 0.3833 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1453 0.8202 -0.6917 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6899 0.4813 -0.4041 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2171 1.0880 0.8766 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7766 0.7474 1.1193 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6044 -0.7274 1.2109 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1540 -1.0760 1.4846 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2170 -0.5917 0.4084 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8251 -1.0358 0.8391 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7831 -0.6022 -0.1748 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5841 -1.0335 0.2398 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6971 -0.6749 -0.6610 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9273 0.7648 -0.9235 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0873 0.9548 -1.8534 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3859 0.4149 -1.3542 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4306 0.6928 -2.4083 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7986 0.2181 -2.0829 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4178 0.7856 -0.8886 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8676 1.6523 -0.1661 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.7191 0.3693 -0.4723 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.3771 0.8881 0.6871 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5997 0.6287 1.9177 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.1151 -0.0888 2.9111 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8200 -0.3866 -0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6407 1.1968 0.8102 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5663 -0.1579 1.2269 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2685 1.9116 -0.8471 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4143 0.3340 -1.6523 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0794 0.8419 -1.2476 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6310 -0.6291 -0.3552 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2733 2.2086 0.8214 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7916 0.7187 1.7527 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4122 1.2152 2.0605 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1549 1.1857 0.2966 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8559 -1.2613 0.2623 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2525 -1.1496 1.9842 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1174 -2.1831 1.5859 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8346 -0.6836 2.4887 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2722 0.5181 0.3728 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5197 -0.9844 -0.5592 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6340 -0.6096 1.8355 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8428 -2.1355 0.9045 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0920 -1.0991 -1.1413 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9158 0.4655 -0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5703 -2.1399 0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7612 -0.6353 1.2647 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6289 -1.1098 -0.2406 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5673 -1.1836 -1.6562 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0434 1.1473 -1.5167 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0009 1.3878 -0.0213 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8161 0.5210 -2.8313 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2122 2.0453 -2.0105 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6966 0.9358 -0.4294 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3955 -0.6616 -1.1489 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0722 0.1903 -3.3376 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4313 1.8001 -2.6257 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8060 -0.9014 -1.9992 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4305 0.4190 -2.9963 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1952 -0.3458 -1.0522 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3741 0.4517 0.7916 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5295 1.9972 0.5392 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5937 1.0086 2.0546 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1272 -0.4886 2.8090 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6047 -0.3097 3.8219 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