(E)-3-(3-amino-4-methylphenyl)-N-ethyl-N-phenylprop-2-enamide

C18H20N2O — CID 39380514

IUPAC(E)-3-(3-amino-4-methylphenyl)-N-ethyl-N-phenylprop-2-enamide
SMILESCCN(C(=O)/C=C/c1ccc(C)c(N)c1)c1ccccc1
InChIInChI=1S/C18H20N2O/c1-3-20(16-7-5-4-6-8-16)18(21)12-11-15-10-9-14(2)17(19)13-15/h4-13H,3,19H2,1-2H3/b12-11+
InChIKeyCGIQZTCIZTVGJP-VAWYXSNFSA-N
MW280.37 g/mol
LogP3.64
Rot. Bonds4

About (E)-3-(3-amino-4-methylphenyl)-N-ethyl-N-phenylprop-2-enamide

(E)-3-(3-amino-4-methylphenyl)-N-ethyl-N-phenylprop-2-enamide (PubChem CID 39380514) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (E)-3-(3-amino-4-methylphenyl)-N-ethyl-N-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-amino-4-methylphenyl)-N-ethyl-N-phenylprop-2-enamide
PubChem CID39380514
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(E)-3-(3-amino-4-methylphenyl)-N-ethyl-N-phenylprop-2-enamide
SMILESCCN(C(=O)/C=C/c1ccc(C)c(N)c1)c1ccccc1
InChIInChI=1S/C18H20N2O/c1-3-20(16-7-5-4-6-8-16)18(21)12-11-15-10-9-14(2)17(19)13-15/h4-13H,3,19H2,1-2H3/b12-11+
InChIKeyCGIQZTCIZTVGJP-VAWYXSNFSA-N
XLogP3.64
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 ≤ 53.64
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'}

Analyze (E)-3-(3-amino-4-methylphenyl)-N-ethyl-N-phenylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-3-(4-methylphenyl)-N-phenylprop-2-enamide
CID 917661
3-(3-amino-4-methylphenyl)-1-phenylprop-2-en-1-one
CID 57146886
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-ethyl-N-phenylprop-2-enamide
CID 16558543
(E)-3-(4-methylphenyl)-N-phenyl-N-propylprop-2-enamide
CID 126607669
(E)-N-ethyl-3-(4-hydroxyphenyl)-N-(3-methylphenyl)prop-2-enamide
CID 84552695
(Z)-3-(3-amino-4-ethoxyphenyl)-N-methyl-N-phenylprop-2-enamide
CID 82153763
(E)-3-(3-amino-4-methylphenyl)-N-butan-2-ylprop-2-enamide
CID 82044068
(E)-N-ethyl-N-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 5353234
(E)-3-(4-chlorophenyl)-N-[2-(N-[(E)-3-(4-chlorophenyl)prop-2-enoyl]anilino)ethyl]-N-phenylprop-2-enamide
CID 17195945
3-(1,3-benzodioxol-5-yl)-N-ethyl-N-(2-methylphenyl)prop-2-enamide
CID 879645
4-(3-amino-4-methylphenyl)but-3-enoic acid
CID 170483298
(E)-3-(4-aminophenyl)-N-ethyl-N-(2-fluorophenyl)prop-2-enamide
CID 115343914

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-amino-4-methylphenyl)-N-ethyl-N-phenylprop-2-enamide?
The IUPAC name of (E)-3-(3-amino-4-methylphenyl)-N-ethyl-N-phenylprop-2-enamide (CID 39380514) is (E)-3-(3-amino-4-methylphenyl)-N-ethyl-N-phenylprop-2-enamide.
What is the SMILES notation for (E)-3-(3-amino-4-methylphenyl)-N-ethyl-N-phenylprop-2-enamide?
The canonical SMILES for (E)-3-(3-amino-4-methylphenyl)-N-ethyl-N-phenylprop-2-enamide is CCN(C(=O)/C=C/c1ccc(C)c(N)c1)c1ccccc1.
What is the InChIKey of (E)-3-(3-amino-4-methylphenyl)-N-ethyl-N-phenylprop-2-enamide?
The InChIKey is CGIQZTCIZTVGJP-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H20N2O/c1-3-20(16-7-5-4-6-8-16)18(21)12-11-15-10-9-14(2)17(19)13-15/h4-13H,3,19H2,1-2H3/b12-11+.
What are the key properties of (E)-3-(3-amino-4-methylphenyl)-N-ethyl-N-phenylprop-2-enamide?
(E)-3-(3-amino-4-methylphenyl)-N-ethyl-N-phenylprop-2-enamide has a molecular weight of 280.37 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-amino-4-methylphenyl)-N-ethyl-N-phenylprop-2-enamide is sourced from PubChem (CID 39380514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).