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

C18H20N2O — CID 115343896

IUPAC(E)-3-(4-aminophenyl)-N-(4-ethylphenyl)-N-methylprop-2-enamide
SMILESCCc1ccc(N(C)C(=O)/C=C/c2ccc(N)cc2)cc1
InChIInChI=1S/C18H20N2O/c1-3-14-6-11-17(12-7-14)20(2)18(21)13-8-15-4-9-16(19)10-5-15/h4-13H,3,19H2,1-2H3/b13-8+
InChIKeyXCMKQHIHEUNCIS-MDWZMJQESA-N
MW280.37 g/mol
LogP3.51
Rot. Bonds4

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

(E)-3-(4-aminophenyl)-N-(4-ethylphenyl)-N-methylprop-2-enamide (PubChem CID 115343896) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-(4-ethylphenyl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-(4-ethylphenyl)-N-methylprop-2-enamide
PubChem CID115343896
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(E)-3-(4-aminophenyl)-N-(4-ethylphenyl)-N-methylprop-2-enamide
SMILESCCc1ccc(N(C)C(=O)/C=C/c2ccc(N)cc2)cc1
InChIInChI=1S/C18H20N2O/c1-3-14-6-11-17(12-7-14)20(2)18(21)13-8-15-4-9-16(19)10-5-15/h4-13H,3,19H2,1-2H3/b13-8+
InChIKeyXCMKQHIHEUNCIS-MDWZMJQESA-N
XLogP3.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-(4-aminophenyl)-4-ethyl-N-methylbenzamide
CID 28894052
(E)-3-(4-aminophenyl)-N-methyl-N-pyridin-3-ylprop-2-enamide
CID 115344230
(E)-3-(4-ethylphenyl)prop-2-enamide
CID 19347567
(E)-3-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methylprop-2-enamide
CID 115342919
(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
4-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-diamine
CID 62001857
N-(4-aminophenyl)-2-(4-ethylphenoxy)-N-methylacetamide
CID 43376419
(E)-3-(4-aminophenyl)-N-(4-ethylcyclohexyl)-N-methylprop-2-enamide
CID 115343447
(E)-3-(4-aminophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylprop-2-enamide
CID 113475584
(E)-3-(4-aminophenyl)-N-(5-ethyl-2-hydroxyphenyl)prop-2-enamide
CID 115344623
(E)-3-(4-aminophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)prop-2-enamide
CID 115343343

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-(4-ethylphenyl)-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-(4-ethylphenyl)-N-methylprop-2-enamide (CID 115343896) is (E)-3-(4-aminophenyl)-N-(4-ethylphenyl)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-(4-ethylphenyl)-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-(4-ethylphenyl)-N-methylprop-2-enamide is CCc1ccc(N(C)C(=O)/C=C/c2ccc(N)cc2)cc1.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-(4-ethylphenyl)-N-methylprop-2-enamide?
The InChIKey is XCMKQHIHEUNCIS-MDWZMJQESA-N. The full InChI is InChI=1S/C18H20N2O/c1-3-14-6-11-17(12-7-14)20(2)18(21)13-8-15-4-9-16(19)10-5-15/h4-13H,3,19H2,1-2H3/b13-8+.
What are the key properties of (E)-3-(4-aminophenyl)-N-(4-ethylphenyl)-N-methylprop-2-enamide?
(E)-3-(4-aminophenyl)-N-(4-ethylphenyl)-N-methylprop-2-enamide has a molecular weight of 280.37 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-N-(4-ethylphenyl)-N-methylprop-2-enamide is sourced from PubChem (CID 115343896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).