4-[(cyclopropylamino)methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide

C23H22N2O2 — CID 25158800

IUPAC4-[(cyclopropylamino)methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide
SMILESO=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CNC2CC2)cc1
InChIInChI=1S/C23H22N2O2/c26-22-13-10-19(17-4-2-1-3-5-17)14-21(22)25-23(27)18-8-6-16(7-9-18)15-24-20-11-12-20/h1-10,13-14,20,24,26H,11-12,15H2,(H,25,27)
InChIKeyVDHZUSVEQZTTKP-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.56
Rot. Bonds6

About 4-[(cyclopropylamino)methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide

4-[(cyclopropylamino)methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide (PubChem CID 25158800) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide
PubChem CID25158800
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name4-[(cyclopropylamino)methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide
SMILESO=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CNC2CC2)cc1
InChIInChI=1S/C23H22N2O2/c26-22-13-10-19(17-4-2-1-3-5-17)14-21(22)25-23(27)18-8-6-16(7-9-18)15-24-20-11-12-20/h1-10,13-14,20,24,26H,11-12,15H2,(H,25,27)
InChIKeyVDHZUSVEQZTTKP-UHFFFAOYSA-N
XLogP4.56
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide (CID 25158800) is 4-[(cyclopropylamino)methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide is O=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CNC2CC2)cc1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide?
The InChIKey is VDHZUSVEQZTTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c26-22-13-10-19(17-4-2-1-3-5-17)14-21(22)25-23(27)18-8-6-16(7-9-18)15-24-20-11-12-20/h1-10,13-14,20,24,26H,11-12,15H2,(H,25,27).
What are the key properties of 4-[(cyclopropylamino)methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide?
4-[(cyclopropylamino)methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide has a molecular weight of 358.44 g/mol, XLogP of 4.56, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide is sourced from PubChem (CID 25158800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).