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
-8.0024 -2.2683 1.8828 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7998 -0.7900 1.9729 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6918 -0.4058 0.9857 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4085 -1.1022 1.3091 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3532 -0.6570 0.2842 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7661 -1.0079 -1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7127 -0.6005 -2.0982 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4981 0.8700 -2.0421 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4676 1.3608 -3.0336 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1087 0.7257 -2.8090 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6623 1.0735 -1.4374 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7092 0.4947 -1.0583 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7480 1.0035 -1.9703 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1361 0.5560 -1.8788 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9540 0.7199 -0.6672 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5772 -0.0125 0.5691 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5817 0.3191 1.6617 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9199 -0.1720 1.2914 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1841 -0.9191 0.3115 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0760 0.1960 2.0763 N 0 0 0 0 0 0 0 0 0 0 0 0
8.4093 -0.2801 1.7255 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4087 0.2282 2.6685 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1366 -0.6132 3.3790 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0723 -2.5653 0.8164 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1282 -2.8221 2.3086 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9340 -2.5204 2.4304 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7215 -0.2961 1.5770 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5968 -0.4216 2.9773 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0604 -0.8397 0.0085 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5391 0.6773 0.9332 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0075 -0.8555 2.2979 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4998 -2.1990 1.2494 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3427 0.4655 0.4097 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3517 -1.0262 0.5565 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6626 -0.3635 -1.3644 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0318 -2.0842 -1.1873 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7449 -1.1481 -1.8852 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0801 -0.9490 -3.0986 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4533 1.3974 -2.3335 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2702 1.2094 -1.0355 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8314 1.1561 -4.0740 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4127 2.4639 -2.9168 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4341 1.0585 -3.6270 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2263 -0.3665 -2.9693 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6687 2.1422 -1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3832 0.5792 -0.7234 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8614 0.9846 -0.0363 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5956 -0.5792 -0.9753 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6722 2.1492 -1.9186 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4523 0.8464 -3.0705 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6996 1.1115 -2.7168 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2463 -0.5222 -2.2734 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0402 0.4957 -0.8935 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0230 1.8136 -0.3529 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5582 0.0574 0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7482 -1.1355 0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6368 1.4466 1.6818 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2433 -0.0569 2.6490 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9193 0.8091 2.8945 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6176 -0.0142 0.6686 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3556 -1.3867 1.7725 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5433 1.2824 2.7761 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9985 -1.6759 3.2679 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8723 -0.2526 4.0734 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