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

C20H25N3O — CID 119842058

IUPAC2-(4-aminophenyl)-N-[2-(azepan-1-yl)phenyl]acetamide
SMILESNc1ccc(CC(=O)Nc2ccccc2N2CCCCCC2)cc1
InChIInChI=1S/C20H25N3O/c21-17-11-9-16(10-12-17)15-20(24)22-18-7-3-4-8-19(18)23-13-5-1-2-6-14-23/h3-4,7-12H,1-2,5-6,13-15,21H2,(H,22,24)
InChIKeyQZKKPRNQNOJZCB-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.83
Rot. Bonds4

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

2-(4-aminophenyl)-N-[2-(azepan-1-yl)phenyl]acetamide (PubChem CID 119842058) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[2-(azepan-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[2-(azepan-1-yl)phenyl]acetamide
PubChem CID119842058
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name2-(4-aminophenyl)-N-[2-(azepan-1-yl)phenyl]acetamide
SMILESNc1ccc(CC(=O)Nc2ccccc2N2CCCCCC2)cc1
InChIInChI=1S/C20H25N3O/c21-17-11-9-16(10-12-17)15-20(24)22-18-7-3-4-8-19(18)23-13-5-1-2-6-14-23/h3-4,7-12H,1-2,5-6,13-15,21H2,(H,22,24)
InChIKeyQZKKPRNQNOJZCB-UHFFFAOYSA-N
XLogP3.83
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(4-aminophenyl)-N-[2-(azepan-1-yl)phenyl]acetamide 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

2-(5-amino-2-pyridinyl)-N-(2-piperidin-1-ylphenyl)acetamide;dihydrochloride
CID 120639469
2-amino-N-(2-piperidin-1-ylphenyl)acetamide;dihydrochloride
CID 119828044
N-[2-[[2-(4-aminophenyl)acetyl]amino]phenyl]pyrrolidine-1-carboxamide
CID 119736029
4-amino-N-(2-piperidin-1-ylphenyl)benzamide
CID 119828017
3-amino-N-[2-(azepan-1-yl)phenyl]propanamide;dihydrochloride
CID 119842100
2-(3,4-dichlorophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 7492195
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
2-(4-aminophenyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119828224
2-(4-aminophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54795746
2-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 7492204
N-[2-(azepan-1-yl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 38283400
5-hydroxy-N-(2-piperidin-1-ylphenyl)pentanamide
CID 79199095

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[2-(azepan-1-yl)phenyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[2-(azepan-1-yl)phenyl]acetamide (CID 119842058) is 2-(4-aminophenyl)-N-[2-(azepan-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[2-(azepan-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[2-(azepan-1-yl)phenyl]acetamide is Nc1ccc(CC(=O)Nc2ccccc2N2CCCCCC2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[2-(azepan-1-yl)phenyl]acetamide?
The InChIKey is QZKKPRNQNOJZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c21-17-11-9-16(10-12-17)15-20(24)22-18-7-3-4-8-19(18)23-13-5-1-2-6-14-23/h3-4,7-12H,1-2,5-6,13-15,21H2,(H,22,24).
What are the key properties of 2-(4-aminophenyl)-N-[2-(azepan-1-yl)phenyl]acetamide?
2-(4-aminophenyl)-N-[2-(azepan-1-yl)phenyl]acetamide has a molecular weight of 323.44 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[2-(azepan-1-yl)phenyl]acetamide is sourced from PubChem (CID 119842058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).