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
-3.8225 -2.1509 0.2631 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3160 -1.6138 -1.0407 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6511 -0.3270 -0.8857 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2268 -0.2856 -0.6258 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6636 -1.3920 -0.5875 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5395 0.9470 -0.4299 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6446 1.3610 -0.2136 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9483 0.7967 -0.0523 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3444 -0.4962 -0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6538 -0.9323 -0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6006 -0.0849 0.4616 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2367 1.2080 0.6896 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9737 1.6354 0.4468 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9730 -0.5189 0.7346 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4730 0.8377 -1.0295 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0286 1.3265 0.2941 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8157 -1.7614 0.4971 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1075 -1.9089 1.0796 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9123 -3.2600 0.1795 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5768 -2.3585 -1.4453 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1284 -1.5592 -1.7848 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3242 1.8251 -0.4721 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6546 2.5212 -0.1457 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6416 -1.1931 -0.6793 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8712 -1.9714 -0.2232 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0050 1.8945 1.0784 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7387 2.6565 0.6438 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0596 -1.6210 0.8884 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3476 -0.0262 1.6469 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6078 -0.2536 -0.1339 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9323 1.6626 -1.5097 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3337 0.6005 -1.7228 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4874 0.8447 1.1245 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1093 1.1693 0.3149 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8524 2.4281 0.4043 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