4-amino-N-(3-phenylpropyl)benzamide

C16H18N2O — CID 10658614

IUPAC4-amino-N-(3-phenylpropyl)benzamide
SMILESNc1ccc(C(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C16H18N2O/c17-15-10-8-14(9-11-15)16(19)18-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-11H,4,7,12,17H2,(H,18,19)
InChIKeyZSSIIJDNLJCRIL-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.63
Rot. Bonds5

About 4-amino-N-(3-phenylpropyl)benzamide

4-amino-N-(3-phenylpropyl)benzamide (PubChem CID 10658614) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-amino-N-(3-phenylpropyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(3-phenylpropyl)benzamide
PubChem CID10658614
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name4-amino-N-(3-phenylpropyl)benzamide
SMILESNc1ccc(C(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C16H18N2O/c17-15-10-8-14(9-11-15)16(19)18-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-11H,4,7,12,17H2,(H,18,19)
InChIKeyZSSIIJDNLJCRIL-UHFFFAOYSA-N
XLogP2.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-amino-N-(3-phenylpropyl)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

4-(hydroxyamino)-N-(3-phenylpropyl)benzamide
CID 87991193
methyl 4-(3-phenylpropylcarbamoyl)benzoate
CID 27646995
4-amino-N-[2-(4-aminophenyl)ethyl]benzamide
CID 110483115
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
4-N-tert-butyl-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 48846619
4-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 27647106
4-chloro-N-(4-phenylbutyl)benzamide
CID 2057490
4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109047171
3-amino-N-(4-phenylbutyl)benzamide;hydrochloride
CID 19353694
5-amino-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 81316646
4-N-[(2-methylphenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109046799
4-N-(1-phenylethyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109047018

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-phenylpropyl)benzamide?
The IUPAC name of 4-amino-N-(3-phenylpropyl)benzamide (CID 10658614) is 4-amino-N-(3-phenylpropyl)benzamide.
What is the SMILES notation for 4-amino-N-(3-phenylpropyl)benzamide?
The canonical SMILES for 4-amino-N-(3-phenylpropyl)benzamide is Nc1ccc(C(=O)NCCCc2ccccc2)cc1.
What is the InChIKey of 4-amino-N-(3-phenylpropyl)benzamide?
The InChIKey is ZSSIIJDNLJCRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c17-15-10-8-14(9-11-15)16(19)18-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-11H,4,7,12,17H2,(H,18,19).
What are the key properties of 4-amino-N-(3-phenylpropyl)benzamide?
4-amino-N-(3-phenylpropyl)benzamide has a molecular weight of 254.33 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-phenylpropyl)benzamide is sourced from PubChem (CID 10658614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).