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
4.5709 -1.9885 0.3998 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1999 -0.6246 0.9688 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9549 -0.2255 0.3678 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7243 -0.5713 0.9746 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7537 -1.2334 2.0408 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4214 -0.2057 0.4379 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6893 -0.5548 1.0442 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0351 -0.2241 0.5654 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1464 -0.6449 1.2869 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4326 -0.3617 0.8823 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6823 0.3584 -0.2667 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5901 0.7814 -0.9911 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2827 0.4931 -0.5793 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0776 0.6623 -0.7004 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0152 0.5280 -0.8614 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0611 2.0092 -0.6394 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7402 -2.6940 0.5371 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7443 -1.9229 -0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5032 -2.3757 0.8507 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0162 -0.7826 2.0502 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9747 0.1139 0.7579 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3671 0.3678 -0.4812 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5816 -1.1362 1.9758 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9459 -1.2160 2.1982 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2849 -0.6949 1.4526 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7569 1.3480 -1.8966 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4441 0.8455 -1.1799 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7842 0.4790 0.1091 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1766 1.7558 -0.9655 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3625 0.1103 -1.6187 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1279 0.2855 -1.4738 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9092 0.1705 -1.4334 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6001 2.2263 0.3497 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4906 2.5143 -1.4449 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0982 2.4074 -0.6047 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