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
6.4195 -2.4386 -1.3226 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3052 -1.2139 -1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3313 -0.6066 0.1012 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8731 -0.2444 0.4149 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7770 0.3694 1.7961 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3566 0.7426 2.1376 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4470 -0.4600 2.1195 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0248 -0.1115 2.4630 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4099 0.8853 1.5101 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0137 1.1224 2.0050 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7629 2.0943 1.1617 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8703 1.6150 -0.2612 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5936 0.2923 -0.3528 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6990 -0.1704 -1.8006 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4205 -1.4918 -1.8783 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8095 -1.4165 -1.3225 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6944 -0.4223 -2.0396 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0573 -0.3990 -1.4440 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2974 -1.1581 -0.4799 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.0728 0.4497 -1.9361 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.3913 0.4963 -1.3682 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4454 0.9616 0.0327 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3523 1.3563 0.6601 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3973 -2.2117 -1.6953 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9215 -3.1878 -1.9892 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3842 -2.8275 -0.2774 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9064 -0.4970 -2.0352 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3458 -1.4786 -1.6271 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7186 -1.3364 0.8252 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9822 0.2769 0.0936 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3228 -1.2004 0.3488 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5725 0.4950 -0.3529 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4818 1.1857 1.9351 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0918 -0.4441 2.5073 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3675 1.2638 3.0922 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0032 1.4023 1.2914 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8046 -1.1679 2.8942 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4745 -0.9953 1.1534 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9376 0.2646 3.4911 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4305 -1.0459 2.3907 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9154 1.8501 1.4957 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3429 0.4596 0.4891 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0506 1.4569 3.0811 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5141 0.1424 2.0247 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8109 2.1273 1.5829 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2848 3.0817 1.2130 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4565 2.4087 -0.8112 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1473 1.5760 -0.7258 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0292 -0.4926 0.1782 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6132 0.4478 0.0293 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6735 -0.3244 -2.2340 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2709 0.5659 -2.3952 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4312 -1.8362 -2.9404 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8752 -2.2425 -1.2381 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7565 -1.2087 -0.2459 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2851 -2.4331 -1.4324 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7987 -0.6467 -3.1099 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2416 0.5923 -1.9426 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8583 1.0700 -2.7463 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0844 1.1394 -1.9575 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8408 -0.5427 -1.3942 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4070 0.9808 0.5638 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4757 1.6879 1.7066 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3552 1.3922 0.2172 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