Monomers
Cinnamamide, N,N-diethyl-
Identifiers
IUPAC name
N,N-diethyl-3-phenylprop-2-enamide
InchI
InChI=1S/C13H17NO/c1-3-14(4-2)13(15)11-10-12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3
InchI Key
GUYVMSJRMMFSQO-UHFFFAOYSA-N
SMILES
CCN(C(=O)C=Cc1ccccc1)CC
Canonical SMILES
CCN(CC)C(=O)C=CC1=CC=CC=C1
Isomeric SMILES
CCN(CC)C(=O)C=CC1=CC=CC=C1
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C13H17NO
Heavy Atom Count
15
Molecular Weight
203.285
Exact Molecular Weight
203.131
Valence Electrons
80
Radical Electrons
0
tPSA
20.31
MolLogP
2.5682
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
32 32 0 0 0 0 0 0 0 0999 V2000
-3.1037 2.0280 0.7934 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8233 0.5575 1.0491 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0648 -0.0514 0.0127 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6163 -0.0474 0.0365 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0591 -0.6247 -0.8936 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0836 0.6079 1.1056 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3334 0.7619 1.2888 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4869 0.3812 0.5389 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5827 0.2103 -0.8169 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7695 -0.2929 -1.3463 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8594 -0.6277 -0.5863 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7389 -0.4435 0.7689 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6049 0.0436 1.3544 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7130 -0.6922 -1.1005 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9602 -2.1578 -0.8008 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1216 2.2205 -0.3093 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3811 2.6894 1.3198 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1057 2.2593 1.2316 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8249 0.0005 1.0505 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4309 0.4593 2.0679 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6081 1.0701 1.9198 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5533 1.3458 2.2557 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7956 0.5218 -1.4941 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8223 -0.4228 -2.4218 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7756 -1.0184 -1.0129 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5810 -0.6939 1.4197 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5499 0.1738 2.4382 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0334 -0.6457 -1.9721 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6446 -0.1733 -1.4075 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5147 -2.5610 -1.6838 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5412 -2.2199 0.1236 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9904 -2.6584 -0.7822 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 2 0
4 6 1 0
6 7 2 3
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
3 14 1 0
14 15 1 0
13 8 1 0
1 16 1 0
1 17 1 0
1 18 1 0
2 19 1 0
2 20 1 0
6 21 1 0
7 22 1 0
9 23 1 0
10 24 1 0
11 25 1 0
12 26 1 0
13 27 1 0
14 28 1 0
14 29 1 0
15 30 1 0
15 31 1 0
15 32 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers