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
-8.8642 -0.7367 0.9100 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8746 0.2171 1.5629 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9882 0.8212 0.4958 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2208 -0.2363 -0.2412 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3267 -1.0450 0.6418 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2912 -0.2264 1.3489 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3990 0.4957 0.3992 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6472 -0.4230 -0.5237 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7558 -1.4082 0.1987 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7201 -0.7288 1.0391 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2020 0.1552 0.2706 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9511 -0.6112 -0.7677 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8930 0.2074 -1.5767 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9326 0.8530 -0.7195 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9079 1.6905 -1.4905 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6784 0.9439 -2.5184 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5141 -0.1845 -2.0018 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5528 0.2261 -1.0300 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7755 1.3910 -0.6487 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4016 -0.7828 -0.4518 N 0 0 0 0 0 0 0 0 0 0 0 0
8.4354 -0.4292 0.5067 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7617 0.2116 1.6606 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0524 1.4478 2.0132 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.8623 -0.5594 1.3754 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9290 -0.5562 -0.1756 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5247 -1.7801 1.0539 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4068 1.0299 2.0976 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2224 -0.2961 2.2915 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6315 1.3765 -0.2165 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3419 1.5704 0.9829 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9800 -0.9415 -0.6729 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7082 0.2151 -1.1013 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9632 -1.6048 1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8201 -1.8121 0.0326 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6750 -0.9240 1.9694 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7491 0.4621 2.1065 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9355 1.2380 -0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6728 1.0877 1.0211 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3857 -1.0116 -1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0213 0.1688 -1.2417 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3102 -2.1446 -0.5071 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4002 -2.0129 0.8662 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2378 -0.1214 1.8083 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1708 -1.5445 1.5873 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9271 0.5907 1.0094 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3967 0.9325 -0.2257 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4979 -1.4450 -0.2447 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2090 -1.1246 -1.4223 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3905 -0.4676 -2.3094 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3156 0.9481 -2.1679 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3924 1.5608 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4463 0.0955 -0.1238 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3750 2.5554 -1.9828 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6018 2.1709 -0.7757 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0667 0.5774 -3.3648 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3993 1.6750 -2.9915 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8926 -1.0097 -1.5975 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0746 -0.5925 -2.8922 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2772 -1.7667 -0.7184 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1951 0.2478 0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9185 -1.3498 0.8906 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0260 -0.3501 2.2113 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5772 1.9313 2.8449 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7921 1.9964 1.4504 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