(E)-3-(4-aminophenyl)-N-(2-methoxyphenyl)-N-methylprop-2-enamide

C17H18N2O2 — CID 115343890

IUPAC(E)-3-(4-aminophenyl)-N-(2-methoxyphenyl)-N-methylprop-2-enamide
SMILESCOc1ccccc1N(C)C(=O)/C=C/c1ccc(N)cc1
InChIInChI=1S/C17H18N2O2/c1-19(15-5-3-4-6-16(15)21-2)17(20)12-9-13-7-10-14(18)11-8-13/h3-12H,18H2,1-2H3/b12-9+
InChIKeyZRQOMSZIZYXCDQ-FMIVXFBMSA-N
MW282.34 g/mol
LogP2.95
Rot. Bonds4

About (E)-3-(4-aminophenyl)-N-(2-methoxyphenyl)-N-methylprop-2-enamide

(E)-3-(4-aminophenyl)-N-(2-methoxyphenyl)-N-methylprop-2-enamide (PubChem CID 115343890) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-(2-methoxyphenyl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-(2-methoxyphenyl)-N-methylprop-2-enamide
PubChem CID115343890
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(E)-3-(4-aminophenyl)-N-(2-methoxyphenyl)-N-methylprop-2-enamide
SMILESCOc1ccccc1N(C)C(=O)/C=C/c1ccc(N)cc1
InChIInChI=1S/C17H18N2O2/c1-19(15-5-3-4-6-16(15)21-2)17(20)12-9-13-7-10-14(18)11-8-13/h3-12H,18H2,1-2H3/b12-9+
InChIKeyZRQOMSZIZYXCDQ-FMIVXFBMSA-N
XLogP2.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(3-amino-4-methoxyphenyl)-N,N-dimethylprop-2-enamide
CID 39244350
(E)-3-(4-aminophenyl)-N-methyl-N-pyridin-3-ylprop-2-enamide
CID 115344230
(E)-3-(4-aminophenyl)-N-ethyl-N-(2-fluorophenyl)prop-2-enamide
CID 115343914
3-amino-N-(2-methoxyphenyl)-N-methylpropanamide
CID 28795107
(E)-3-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylprop-2-enamide
CID 26268813
(E)-3-(4-aminophenyl)-N-(4-ethylphenyl)-N-methylprop-2-enamide
CID 115343896
methyl 4-[(E)-3-[1-(2-methoxyphenyl)ethyl-methylamino]-3-oxoprop-1-enyl]benzoate
CID 55593954
(E)-3-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylprop-2-enamide
CID 115342821
(E)-3-(4-aminophenyl)-N-methyl-N-(2-methylpropyl)prop-2-enamide
CID 115342798
3-(3-aminophenyl)-1-(2-methoxyphenyl)-1-methylurea
CID 62003425
N-methoxy-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 54257265
(E)-3-(3,4-dimethoxyphenyl)-N-methoxy-N-methylprop-2-enamide
CID 22347490

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-(2-methoxyphenyl)-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-(2-methoxyphenyl)-N-methylprop-2-enamide (CID 115343890) is (E)-3-(4-aminophenyl)-N-(2-methoxyphenyl)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-(2-methoxyphenyl)-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-(2-methoxyphenyl)-N-methylprop-2-enamide is COc1ccccc1N(C)C(=O)/C=C/c1ccc(N)cc1.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-(2-methoxyphenyl)-N-methylprop-2-enamide?
The InChIKey is ZRQOMSZIZYXCDQ-FMIVXFBMSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-19(15-5-3-4-6-16(15)21-2)17(20)12-9-13-7-10-14(18)11-8-13/h3-12H,18H2,1-2H3/b12-9+.
What are the key properties of (E)-3-(4-aminophenyl)-N-(2-methoxyphenyl)-N-methylprop-2-enamide?
(E)-3-(4-aminophenyl)-N-(2-methoxyphenyl)-N-methylprop-2-enamide has a molecular weight of 282.34 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-N-(2-methoxyphenyl)-N-methylprop-2-enamide is sourced from PubChem (CID 115343890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).