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
-4.6295 1.8578 -0.7728 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1098 1.0564 0.3729 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7842 0.4562 0.0586 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.6830 1.2517 0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9597 2.4413 0.8734 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2755 0.9762 0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3525 -0.0859 -0.1125 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7914 -0.1771 -0.1441 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3970 -1.3540 -0.5918 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7567 -1.4835 -0.6383 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5918 -0.4556 -0.2443 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9773 0.6886 0.1909 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5853 0.8544 0.2512 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0758 -0.5649 -0.2828 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7840 -0.8389 -0.5773 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6811 -1.9848 0.3928 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4211 2.5168 -0.4153 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0528 1.2102 -1.5740 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7886 2.4683 -1.1833 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7719 0.2134 0.6111 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9814 1.6972 1.2493 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3565 1.8535 0.6278 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1900 -0.9490 -0.4279 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7705 -2.1585 -0.9002 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2327 -2.3963 -0.9855 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5911 1.5416 0.5177 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2078 1.8240 0.6203 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4763 -1.1461 0.5721 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3328 -1.0405 -1.2691 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4719 0.4706 -0.3114 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1205 -0.9045 -1.4259 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8258 -0.9104 -1.0707 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5748 -1.6253 1.4372 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5505 -2.6676 0.3081 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7833 -2.6351 0.1864 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