N-[4-(aminomethyl)phenyl]-3-oxo-3-phenylpropanamide

C16H16N2O2 — CID 110483778

IUPACN-[4-(aminomethyl)phenyl]-3-oxo-3-phenylpropanamide
SMILESNCc1ccc(NC(=O)CC(=O)c2ccccc2)cc1
InChIInChI=1S/C16H16N2O2/c17-11-12-6-8-14(9-7-12)18-16(20)10-15(19)13-4-2-1-3-5-13/h1-9H,10-11,17H2,(H,18,20)
InChIKeyZSLWTSKWNWYGGN-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.36
Rot. Bonds5

About N-[4-(aminomethyl)phenyl]-3-oxo-3-phenylpropanamide

N-[4-(aminomethyl)phenyl]-3-oxo-3-phenylpropanamide (PubChem CID 110483778) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-3-oxo-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-3-oxo-3-phenylpropanamide
PubChem CID110483778
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-[4-(aminomethyl)phenyl]-3-oxo-3-phenylpropanamide
SMILESNCc1ccc(NC(=O)CC(=O)c2ccccc2)cc1
InChIInChI=1S/C16H16N2O2/c17-11-12-6-8-14(9-7-12)18-16(20)10-15(19)13-4-2-1-3-5-13/h1-9H,10-11,17H2,(H,18,20)
InChIKeyZSLWTSKWNWYGGN-UHFFFAOYSA-N
XLogP2.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4,4-dimethyl-3-oxo-N-phenylpentanamide;3-oxo-N,3-diphenylpropanamide
CID 88616895
2-[3-(aminomethyl)phenyl]-N-phenylacetamide
CID 154574877
4-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide
CID 63589054
4-[4-(aminomethyl)phenyl]-N-phenylbenzamide
CID 91665672
4-oxo-N,4-diphenylbutanamide
CID 825307
N-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 43152378
N'-[4-(aminomethyl)phenyl]-N-(4-methylphenyl)butanediamide
CID 143641353
3-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide
CID 107811064
4-[(4-oxo-4-phenylbutanoyl)amino]benzamide
CID 9441934
N-[4-(aminomethyl)phenyl]-2-(3-hydroxyphenyl)acetamide
CID 61399107
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-3-oxo-3-phenylpropanamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-3-oxo-3-phenylpropanamide (CID 110483778) is N-[4-(aminomethyl)phenyl]-3-oxo-3-phenylpropanamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-3-oxo-3-phenylpropanamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-3-oxo-3-phenylpropanamide is NCc1ccc(NC(=O)CC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-3-oxo-3-phenylpropanamide?
The InChIKey is ZSLWTSKWNWYGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c17-11-12-6-8-14(9-7-12)18-16(20)10-15(19)13-4-2-1-3-5-13/h1-9H,10-11,17H2,(H,18,20).
What are the key properties of N-[4-(aminomethyl)phenyl]-3-oxo-3-phenylpropanamide?
N-[4-(aminomethyl)phenyl]-3-oxo-3-phenylpropanamide has a molecular weight of 268.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-3-oxo-3-phenylpropanamide is sourced from PubChem (CID 110483778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).