4-(4-aminophenyl)-N-(5-oxohexyl)butanamide

C16H24N2O2 — CID 23579156

IUPAC4-(4-aminophenyl)-N-(5-oxohexyl)butanamide
SMILESCC(=O)CCCCNC(=O)CCCc1ccc(N)cc1
InChIInChI=1S/C16H24N2O2/c1-13(19)5-2-3-12-18-16(20)7-4-6-14-8-10-15(17)11-9-14/h8-11H,2-7,12,17H2,1H3,(H,18,20)
InChIKeyOJZPQNGEXKDZDX-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.47
Rot. Bonds9

About 4-(4-aminophenyl)-N-(5-oxohexyl)butanamide

4-(4-aminophenyl)-N-(5-oxohexyl)butanamide (PubChem CID 23579156) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-(4-aminophenyl)-N-(5-oxohexyl)butanamide.

Molecular Properties

Compound Name4-(4-aminophenyl)-N-(5-oxohexyl)butanamide
PubChem CID23579156
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-(4-aminophenyl)-N-(5-oxohexyl)butanamide
SMILESCC(=O)CCCCNC(=O)CCCc1ccc(N)cc1
InChIInChI=1S/C16H24N2O2/c1-13(19)5-2-3-12-18-16(20)7-4-6-14-8-10-15(17)11-9-14/h8-11H,2-7,12,17H2,1H3,(H,18,20)
InChIKeyOJZPQNGEXKDZDX-UHFFFAOYSA-N
XLogP2.47
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-aminophenyl)-N-(5-oxohexyl)butanamide 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-[2-(4-aminophenyl)ethyl]decanamide
CID 22980985
6-[2-(4-aminophenyl)ethylamino]-6-oxohexanoic acid
CID 110483471
N-(4-aminobutyl)-3-(4-aminophenyl)propanamide
CID 115341376
4-[4-(4-oxopentyl)phenyl]butylcarbamic acid
CID 91326870
N-(4-acetamidobutyl)-4-(4-fluorophenyl)butanamide
CID 110355184
N-[2-(4-aminophenyl)ethyl]-N'-propan-2-ylpentanediamide;hydrochloride
CID 119548257
8-(4-phenylbutanoylamino)octanoic acid
CID 71129906
5-amino-N-(11-oxododecyl)pentanamide
CID 171093439
6-[4-(4-chlorophenyl)butanoylamino]hexanoic acid
CID 94966413
2-(4-aminophenyl)-N-[3-(4-propan-2-ylphenyl)propyl]acetamide
CID 119781845
3-[3-(4-aminophenyl)propanoylamino]propanoic acid
CID 113290550
N-(3-amino-3-oxopropyl)-3-(4-aminophenyl)propanamide
CID 43553907

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-N-(5-oxohexyl)butanamide?
The IUPAC name of 4-(4-aminophenyl)-N-(5-oxohexyl)butanamide (CID 23579156) is 4-(4-aminophenyl)-N-(5-oxohexyl)butanamide.
What is the SMILES notation for 4-(4-aminophenyl)-N-(5-oxohexyl)butanamide?
The canonical SMILES for 4-(4-aminophenyl)-N-(5-oxohexyl)butanamide is CC(=O)CCCCNC(=O)CCCc1ccc(N)cc1.
What is the InChIKey of 4-(4-aminophenyl)-N-(5-oxohexyl)butanamide?
The InChIKey is OJZPQNGEXKDZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13(19)5-2-3-12-18-16(20)7-4-6-14-8-10-15(17)11-9-14/h8-11H,2-7,12,17H2,1H3,(H,18,20).
What are the key properties of 4-(4-aminophenyl)-N-(5-oxohexyl)butanamide?
4-(4-aminophenyl)-N-(5-oxohexyl)butanamide has a molecular weight of 276.38 g/mol, XLogP of 2.47, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-N-(5-oxohexyl)butanamide is sourced from PubChem (CID 23579156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).