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
9.1767 2.6695 2.0918 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1180 1.2608 1.5770 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9569 1.0571 0.6084 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6431 1.3390 1.2448 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5274 1.1527 0.2449 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4732 -0.2324 -0.2789 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3548 -0.3862 -1.2721 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0472 -0.1024 -0.6175 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8782 -0.2699 -1.5683 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6164 0.0674 -0.8052 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3766 -0.8037 0.3709 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8854 -0.4311 1.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0773 -0.5863 0.1792 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2901 -0.2076 1.0267 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5276 -0.3172 0.1773 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7601 -1.7114 -0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0211 -1.7805 -1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2397 -1.4337 -0.4305 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3055 -1.1595 0.7791 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.4804 -1.4090 -1.1706 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.7262 -1.0773 -0.5598 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.7961 0.2955 -0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.8509 1.2104 -0.1013 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3142 2.8475 2.7693 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1484 2.7881 2.6161 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1303 3.3552 1.2294 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0394 1.0763 0.9917 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0418 0.5001 2.3723 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9899 -0.0438 0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0686 1.6257 -0.3209 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5992 2.3576 1.6954 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4981 0.6476 2.1268 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5638 1.5303 0.6504 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7677 1.8348 -0.6158 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2165 -0.9536 0.5575 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4402 -0.5921 -0.6942 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3593 -1.4756 -1.5730 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5379 0.2471 -2.1777 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9669 0.9346 -0.2505 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9279 -0.8433 0.1979 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7894 -1.3142 -1.9332 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9471 0.4415 -2.4178 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8116 1.1061 -0.3914 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2414 0.1854 -1.5008 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3610 -1.8606 0.0139 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2030 -0.7107 1.1155 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9587 -1.1201 1.9739 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7660 0.6185 1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1637 -1.6013 -0.2147 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9851 0.0930 -0.6842 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3135 -0.9215 1.8720 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1763 0.8077 1.4511 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3880 0.0630 0.7678 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4670 0.3646 -0.7165 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9123 -2.1220 -0.9087 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9140 -2.4179 0.5294 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1391 -2.7914 -1.6388 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9258 -1.0143 -2.0057 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4380 -1.6473 -2.1934 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5390 -1.1615 -1.3161 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9240 -1.7662 0.3025 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7484 0.5442 0.4897 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8967 1.0492 -0.5834 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0331 2.1953 0.3445 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