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
-4.1058 -1.2491 0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5713 -0.1272 -0.6641 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7003 0.7547 0.0430 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2822 0.4598 0.1131 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5924 1.3159 0.7151 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7318 -0.7170 -0.4618 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4032 -1.2754 -0.6163 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7718 -1.0123 -0.2908 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7314 -2.0277 -0.4855 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0713 -1.8591 -0.2362 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5590 -0.6673 0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6654 0.3445 0.4285 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2935 0.1684 0.1715 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0175 -0.4690 0.5032 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2195 1.9527 0.7024 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1872 3.1357 -0.2672 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2029 -1.3108 0.1875 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7216 -2.2035 -0.2166 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7638 -1.1347 1.2278 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4661 0.5363 -0.9562 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1322 -0.5426 -1.5779 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5843 -1.3784 -0.9148 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3112 -2.2837 -1.2024 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3588 -2.9840 -0.8484 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7576 -2.6826 -0.4074 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0408 1.2932 0.7946 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6640 1.0035 0.3286 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1578 0.1740 1.4048 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5415 -1.4411 0.6072 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5217 0.0724 -0.3294 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2935 1.8029 0.9606 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6863 2.1769 1.6400 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8120 3.9280 0.1722 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1346 3.4375 -0.4071 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6788 2.8092 -1.2004 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