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
6.7473 -1.5944 3.4117 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8645 -1.3276 2.2120 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5684 0.1453 2.0601 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6896 0.4317 0.8697 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2794 0.0037 -0.4251 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3216 0.3256 -1.5448 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0268 1.7827 -1.6361 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0710 1.9978 -2.7873 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7621 1.2471 -2.6113 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0777 1.7005 -1.3701 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2614 1.0016 -1.1181 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1055 -0.4603 -0.9707 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3171 -1.2721 -0.7004 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4002 -1.3522 -1.6871 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1233 -0.1424 -2.1177 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7758 0.6197 -0.9684 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7503 -0.2975 -0.3072 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4546 0.3423 0.8342 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2455 1.5276 1.1959 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4386 -0.3927 1.5993 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.1301 0.1840 2.6938 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0800 -0.7562 3.3149 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3289 -1.9869 2.9760 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8231 -1.6336 3.1032 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4722 -2.5033 3.9631 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6612 -0.7178 4.0833 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3389 -1.7675 1.3373 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8821 -1.8639 2.3614 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0673 0.5118 2.9775 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5396 0.6736 1.9882 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7084 -0.0607 1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5765 1.5525 0.8507 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2306 0.5248 -0.6588 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3995 -1.1024 -0.4182 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4073 -0.3005 -1.4617 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7911 0.0133 -2.5202 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5610 2.2144 -0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9677 2.3037 -1.9183 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5278 1.7681 -3.7536 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8073 3.0893 -2.7781 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1230 1.5829 -3.4772 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8877 0.1746 -2.7314 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8535 2.7734 -1.4094 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6970 1.4663 -0.4756 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5916 1.4372 -0.1209 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9850 1.3781 -1.8338 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5935 -0.6511 -0.0883 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4925 -0.9167 -1.8218 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6890 -0.9565 0.3241 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9521 -2.3432 -0.5041 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1913 -2.1076 -1.3561 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9960 -1.8471 -2.6173 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6873 0.4822 -2.8923 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0685 -0.5628 -2.6679 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0306 1.0491 -0.2783 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2854 1.5118 -1.4365 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1712 -1.1367 0.1335 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4944 -0.6203 -1.0527 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5748 -1.3656 1.2613 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4583 0.5295 3.5168 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6555 1.1302 2.3532 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6792 -0.3906 4.1950 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8393 -2.4713 2.1624 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0563 -2.5746 3.5190 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