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
6.6893 0.8593 -1.5281 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7278 1.3058 -0.1106 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8330 0.5392 0.8240 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1967 -0.9462 0.8274 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3601 -1.7420 1.7494 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9288 -1.8721 1.4773 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4102 -2.5846 0.3256 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5797 -2.2598 -1.0642 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0841 -0.9631 -1.5670 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6486 -0.6052 -1.4776 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1131 -0.4360 -0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3890 -0.0373 -0.1607 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8727 0.1189 1.2507 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3307 0.5089 1.3296 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6368 1.7922 0.6601 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0864 2.1393 0.7978 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9510 1.0802 0.1682 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3885 1.4983 0.3095 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6466 2.5754 0.8654 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.3687 0.6143 -0.2128 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.7673 1.0297 -0.0721 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.6105 -0.0226 -0.6728 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.4069 0.2562 -1.6831 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8193 0.2859 -1.8422 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8391 1.7280 -2.2223 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5741 0.1922 -1.7623 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7905 1.1639 0.2511 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5335 2.3988 -0.0712 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7837 0.7487 0.6327 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0568 0.8848 1.8814 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1611 -1.2382 -0.2446 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2622 -1.0180 1.2037 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8505 -2.7275 2.0209 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4383 -1.1979 2.7615 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3858 -2.2849 2.4012 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5097 -0.8024 1.4511 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3776 -3.0099 0.5789 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9988 -3.6459 0.4077 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6185 -2.4489 -1.4794 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0052 -3.0466 -1.7245 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6418 -0.0907 -1.0888 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4395 -0.8283 -2.6621 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0010 -1.3409 -2.0531 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5351 0.3790 -2.0128 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6790 0.4158 0.3724 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1645 -1.2539 0.5719 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9045 -0.8878 -0.6511 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4450 0.8637 -0.7656 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2427 0.8872 1.7442 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7246 -0.8317 1.7917 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9264 -0.3200 0.8651 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6345 0.5643 2.3912 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4206 1.7882 -0.4335 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0536 2.6050 1.1583 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3687 2.2890 1.8754 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2571 3.1308 0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7179 1.0379 -0.9034 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8042 0.0996 0.6784 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0864 -0.2737 -0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9990 1.1900 1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9174 1.9731 -0.6231 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5774 -1.0232 -0.2852 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0483 -0.4720 -2.1651 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4536 1.2677 -2.0879 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