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

C20H24N2O — CID 16620353

IUPACN-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(N2CCCCCC2)cc1
InChIInChI=1S/C20H24N2O/c23-20(16-17-8-4-3-5-9-17)21-18-10-12-19(13-11-18)22-14-6-1-2-7-15-22/h3-5,8-13H,1-2,6-7,14-16H2,(H,21,23)
InChIKeyAUJSICMPZMVNOP-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.25
Rot. Bonds4

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

N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide (PubChem CID 16620353) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
PubChem CID16620353
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC NameN-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(N2CCCCCC2)cc1
InChIInChI=1S/C20H24N2O/c23-20(16-17-8-4-3-5-9-17)21-18-10-12-19(13-11-18)22-14-6-1-2-7-15-22/h3-5,8-13H,1-2,6-7,14-16H2,(H,21,23)
InChIKeyAUJSICMPZMVNOP-UHFFFAOYSA-N
XLogP4.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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

N-[4-(azepan-1-yl)phenyl]-2-(4-methylphenyl)acetamide
CID 112985752
2-benzylsulfanyl-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922450
2-(3-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 16552460
2-(3-aminophenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 28712283
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylacetamide
CID 969221
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110409810
N-[4-(dimethylamino)phenyl]-2-(4-piperidin-1-ylphenyl)acetamide
CID 110650708
N-(4-acetylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110409479
2-(4-fluorophenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide
CID 112983945
2-(2-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 28712679
methyl 4-[[2-(4-piperidin-1-ylphenyl)acetyl]amino]benzoate
CID 110409606
3-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109019030

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide?
The IUPAC name of N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide (CID 16620353) is N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1ccc(N2CCCCCC2)cc1.
What is the InChIKey of N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide?
The InChIKey is AUJSICMPZMVNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c23-20(16-17-8-4-3-5-9-17)21-18-10-12-19(13-11-18)22-14-6-1-2-7-15-22/h3-5,8-13H,1-2,6-7,14-16H2,(H,21,23).
What are the key properties of N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide?
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide has a molecular weight of 308.43 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 16620353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).