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
-3.1038 -2.1575 0.2438 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4285 -1.5444 -0.9314 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9821 -1.7010 -0.8767 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0942 -0.7128 -0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0861 -1.0334 -0.3937 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6021 0.4357 0.3281 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3266 1.5306 0.9332 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9084 2.1816 1.3229 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1725 1.6819 1.1537 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3512 2.3347 1.5198 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2398 3.5506 2.0888 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0231 4.1098 2.2892 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8772 3.4740 1.9251 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4064 -2.9040 -1.3818 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0473 -2.7807 -2.8003 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1434 -3.2675 0.0601 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1200 -1.7680 0.4108 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4843 -1.9819 1.1712 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6651 -0.5055 -1.1576 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7830 -2.1588 -1.8359 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8175 0.4052 0.3072 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2358 2.1324 1.2118 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3337 0.7448 0.7021 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3288 1.8626 1.3446 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1001 4.1490 2.4311 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9453 5.1054 2.7461 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0915 3.8917 2.0489 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4822 -3.2482 -0.7563 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1783 -3.7334 -1.2767 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1120 -2.3459 -2.8196 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5656 -1.9950 -3.3134 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0204 -3.7522 -3.3141 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