2-[4-(azepan-1-yl)phenyl]-N-hydroxy-2-phenylacetamide

C20H24N2O2 — CID 135320152

IUPAC2-[4-(azepan-1-yl)phenyl]-N-hydroxy-2-phenylacetamide
SMILESO=C(NO)C(c1ccccc1)c1ccc(N2CCCCCC2)cc1
InChIInChI=1S/C20H24N2O2/c23-20(21-24)19(16-8-4-3-5-9-16)17-10-12-18(13-11-17)22-14-6-1-2-7-15-22/h3-5,8-13,19,24H,1-2,6-7,14-15H2,(H,21,23)
InChIKeyQBDBRYPYBAPNGE-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.70
Rot. Bonds4

About 2-[4-(azepan-1-yl)phenyl]-N-hydroxy-2-phenylacetamide

2-[4-(azepan-1-yl)phenyl]-N-hydroxy-2-phenylacetamide (PubChem CID 135320152) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-[4-(azepan-1-yl)phenyl]-N-hydroxy-2-phenylacetamide.

Molecular Properties

Compound Name2-[4-(azepan-1-yl)phenyl]-N-hydroxy-2-phenylacetamide
PubChem CID135320152
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-[4-(azepan-1-yl)phenyl]-N-hydroxy-2-phenylacetamide
SMILESO=C(NO)C(c1ccccc1)c1ccc(N2CCCCCC2)cc1
InChIInChI=1S/C20H24N2O2/c23-20(21-24)19(16-8-4-3-5-9-16)17-10-12-18(13-11-17)22-14-6-1-2-7-15-22/h3-5,8-13,19,24H,1-2,6-7,14-15H2,(H,21,23)
InChIKeyQBDBRYPYBAPNGE-UHFFFAOYSA-N
XLogP3.70
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[4-(azepan-1-yl)phenyl]-N-hydroxy-2-phenylacetamide 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

(1R,2S)-1-phenyl-2-(4-piperidin-1-ylphenyl)ethane-1,2-diol
CID 102036092
carbamic acid;1-phenylpiperidine
CID 161473217
N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261
N-[(S)-(4-methylphenyl)-phenylmethyl]-4-piperidin-1-ylbenzamide
CID 28635742
2-phenyl-3-(4-piperidin-1-ylphenyl)propanoic acid
CID 82160408
N-[4-(4-methylpiperidin-1-yl)phenyl]-2,2-diphenylacetamide
CID 19629747
methyl 2-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylphenyl)acetate
CID 122228439
2-[4-(cyclohexylmethoxy)phenyl]-N-hydroxy-2-phenylacetamide
CID 135320150
N-[2-(methylamino)-2-oxo-1-phenylethyl]-4-pyrrolidin-1-ylbenzamide
CID 91782479
1,7-diphenyl-4-(4-piperidin-1-ylphenyl)heptane-2,6-dione
CID 146916690
methyl 2-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-phenylacetate
CID 134954112
1-phenylpiperidine;phosphenous acid
CID 174871848

Frequently Asked Questions

What is the IUPAC name of 2-[4-(azepan-1-yl)phenyl]-N-hydroxy-2-phenylacetamide?
The IUPAC name of 2-[4-(azepan-1-yl)phenyl]-N-hydroxy-2-phenylacetamide (CID 135320152) is 2-[4-(azepan-1-yl)phenyl]-N-hydroxy-2-phenylacetamide.
What is the SMILES notation for 2-[4-(azepan-1-yl)phenyl]-N-hydroxy-2-phenylacetamide?
The canonical SMILES for 2-[4-(azepan-1-yl)phenyl]-N-hydroxy-2-phenylacetamide is O=C(NO)C(c1ccccc1)c1ccc(N2CCCCCC2)cc1.
What is the InChIKey of 2-[4-(azepan-1-yl)phenyl]-N-hydroxy-2-phenylacetamide?
The InChIKey is QBDBRYPYBAPNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c23-20(21-24)19(16-8-4-3-5-9-16)17-10-12-18(13-11-17)22-14-6-1-2-7-15-22/h3-5,8-13,19,24H,1-2,6-7,14-15H2,(H,21,23).
What are the key properties of 2-[4-(azepan-1-yl)phenyl]-N-hydroxy-2-phenylacetamide?
2-[4-(azepan-1-yl)phenyl]-N-hydroxy-2-phenylacetamide has a molecular weight of 324.42 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azepan-1-yl)phenyl]-N-hydroxy-2-phenylacetamide is sourced from PubChem (CID 135320152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).