N-(5-amino-2-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]benzamide

C23H22N2O — CID 89462725

IUPACN-(5-amino-2-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]benzamide
SMILESCc1ccc(N)cc1NC(=O)c1ccc(C/C=C/c2ccccc2)cc1
InChIInChI=1S/C23H22N2O/c1-17-10-15-21(24)16-22(17)25-23(26)20-13-11-19(12-14-20)9-5-8-18-6-3-2-4-7-18/h2-8,10-16H,9,24H2,1H3,(H,25,26)/b8-5+
InChIKeyUBGMNDOKXUBUBP-VMPITWQZSA-N
MW342.44 g/mol
LogP5.09
Rot. Bonds5

About N-(5-amino-2-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]benzamide

N-(5-amino-2-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]benzamide (PubChem CID 89462725) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]benzamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]benzamide
PubChem CID89462725
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC NameN-(5-amino-2-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]benzamide
SMILESCc1ccc(N)cc1NC(=O)c1ccc(C/C=C/c2ccccc2)cc1
InChIInChI=1S/C23H22N2O/c1-17-10-15-21(24)16-22(17)25-23(26)20-13-11-19(12-14-20)9-5-8-18-6-3-2-4-7-18/h2-8,10-16H,9,24H2,1H3,(H,25,26)/b8-5+
InChIKeyUBGMNDOKXUBUBP-VMPITWQZSA-N
XLogP5.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(5-amino-2-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]benzamide 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-(5-amino-2-methylphenyl)-4-phenoxybenzamide
CID 57326481
3-methoxy-4,5-dimethyl-N-[N'-[4-methyl-3-[[4-[(E)-3-phenylprop-2-enyl]benzoyl]amino]phenyl]carbamimidoyl]benzamide
CID 136511069
N-(5-amino-2-methylphenyl)-4-hydroxybenzamide
CID 22291140
N-(5-amino-2-methylphenyl)naphthalene-2-carboxamide
CID 16773401
3-methoxy-4,5-dimethyl-N-[N'-[4-methyl-3-[[4-[(E)-3-phenylprop-1-enyl]benzoyl]amino]phenyl]carbamimidoyl]benzamide
CID 136511068
N-(5-amino-2-methylphenyl)-4-(trifluoromethyl)benzamide
CID 24709372
tert-butyl N-[N'-[4-methyl-3-[[4-(3-phenylprop-2-enyl)benzoyl]amino]phenyl]-N-(3,4,5-trimethoxybenzoyl)carbamimidoyl]carbamate
CID 137099681
[(Z)-3-phenylprop-2-enyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 97423646
N-(5-amino-2-phenylphenyl)-4-(hydroxymethyl)benzamide
CID 174575864
N-(5-benzamido-2-methylphenyl)-4-(chloromethyl)benzamide
CID 22291056
N-(5-amino-2-methylphenyl)-4-(diethylsulfamoyl)benzamide
CID 28867137
N-[[4-(aminomethyl)phenyl]methyl]-3-benzamido-4-methylbenzamide
CID 23968860

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]benzamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]benzamide (CID 89462725) is N-(5-amino-2-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]benzamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]benzamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]benzamide is Cc1ccc(N)cc1NC(=O)c1ccc(C/C=C/c2ccccc2)cc1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]benzamide?
The InChIKey is UBGMNDOKXUBUBP-VMPITWQZSA-N. The full InChI is InChI=1S/C23H22N2O/c1-17-10-15-21(24)16-22(17)25-23(26)20-13-11-19(12-14-20)9-5-8-18-6-3-2-4-7-18/h2-8,10-16H,9,24H2,1H3,(H,25,26)/b8-5+.
What are the key properties of N-(5-amino-2-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]benzamide?
N-(5-amino-2-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]benzamide has a molecular weight of 342.44 g/mol, XLogP of 5.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]benzamide is sourced from PubChem (CID 89462725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).