Monomers
N,N-diethyl-3-(4-methylphenyl)prop-2-enamide
Identifiers
IUPAC name
N,N-diethyl-3-(4-methylphenyl)prop-2-enamide
InchI
InChI=1S/C14H19NO/c1-4-15(5-2)14(16)11-10-13-8-6-12(3)7-9-13/h6-11H,4-5H2,1-3H3
InchI Key
UUWUZOWQKPANJO-UHFFFAOYSA-N
SMILES
CCN(C(=O)C=Cc1ccc(cc1)C)CC
Canonical SMILES
CCN(CC)C(=O)C=CC1=CC=C(C=C1)C
Isomeric SMILES
CCN(CC)C(=O)C=CC1=CC=C(C=C1)C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C14H19NO
Heavy Atom Count
16
Molecular Weight
217.312
Exact Molecular Weight
217.1467
Valence Electrons
86
Radical Electrons
0
tPSA
20.31
MolLogP
2.8766
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
35 35 0 0 0 0 0 0 0 0999 V2000
4.5724 -1.2655 1.1052 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0120 -1.5930 -0.2697 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8167 -0.7955 -0.4363 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5975 -1.3520 -0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5333 -2.5091 0.4801 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3670 -0.5711 -0.1549 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7619 -1.0811 0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0327 -0.3653 0.1243 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2043 -0.9941 0.5656 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4220 -0.3747 0.4921 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5281 0.9001 -0.0247 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3766 1.5226 -0.4604 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1444 0.9027 -0.3888 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8505 1.5598 -0.0991 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8572 0.5179 -1.0181 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0412 1.6088 0.0092 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7683 -0.9105 1.7937 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9944 -2.1765 1.5932 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3710 -0.4989 1.0592 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7715 -1.3973 -1.0405 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7537 -2.6883 -0.2487 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3792 0.4096 -0.5635 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7777 -2.0793 0.6495 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1318 -1.9946 0.9729 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3383 -0.8504 0.8306 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5004 2.5267 -0.8613 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2836 1.4477 -0.7478 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9505 2.1904 -0.9917 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9537 2.1611 0.8503 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6585 0.7987 -0.0602 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0002 0.7691 -1.6677 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7385 0.5302 -1.7380 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0762 1.9116 0.4507 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5504 2.4566 -0.5264 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7145 1.2835 0.8208 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
11 14 1 0
3 15 1 0
15 16 1 0
13 8 1 0
1 17 1 0
1 18 1 0
1 19 1 0
2 20 1 0
2 21 1 0
6 22 1 0
7 23 1 0
9 24 1 0
10 25 1 0
12 26 1 0
13 27 1 0
14 28 1 0
14 29 1 0
14 30 1 0
15 31 1 0
15 32 1 0
16 33 1 0
16 34 1 0
16 35 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers