4-(3-aminophenyl)-N-cyclohexyl-4-oxobutanamide

C16H22N2O2 — CID 94283308

IUPAC4-(3-aminophenyl)-N-cyclohexyl-4-oxobutanamide
SMILESNc1cccc(C(=O)CCC(=O)NC2CCCCC2)c1
InChIInChI=1S/C16H22N2O2/c17-13-6-4-5-12(11-13)15(19)9-10-16(20)18-14-7-2-1-3-8-14/h4-6,11,14H,1-3,7-10,17H2,(H,18,20)
InChIKeyAAMSGJKBXVSFJN-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.68
Rot. Bonds5

About 4-(3-aminophenyl)-N-cyclohexyl-4-oxobutanamide

4-(3-aminophenyl)-N-cyclohexyl-4-oxobutanamide (PubChem CID 94283308) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-(3-aminophenyl)-N-cyclohexyl-4-oxobutanamide.

Molecular Properties

Compound Name4-(3-aminophenyl)-N-cyclohexyl-4-oxobutanamide
PubChem CID94283308
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name4-(3-aminophenyl)-N-cyclohexyl-4-oxobutanamide
SMILESNc1cccc(C(=O)CCC(=O)NC2CCCCC2)c1
InChIInChI=1S/C16H22N2O2/c17-13-6-4-5-12(11-13)15(19)9-10-16(20)18-14-7-2-1-3-8-14/h4-6,11,14H,1-3,7-10,17H2,(H,18,20)
InChIKeyAAMSGJKBXVSFJN-UHFFFAOYSA-N
XLogP2.68
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)-N-cyclohexylacetamide
CID 28689689
2-(3-aminophenyl)-N-cycloheptylacetamide
CID 28712073
N-cyclohexyl-4-oxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanamide
CID 21108450
N-cycloheptyl-4-(3,4-dimethoxyphenyl)-4-oxobutanamide
CID 17457747
4-(3-aminophenyl)-4-oxo-N-propan-2-ylbutanamide
CID 94262244
N-cycloheptyl-4-(4-methylphenyl)-4-oxobutanamide
CID 26711840
N-cyclooctyl-5-oxo-5-phenylpentanamide
CID 20969095
N-[3-(cyclopentylamino)-3-oxopropyl]-4-oxo-4-phenylbutanamide
CID 26721985
(Z)-3-(3-aminophenyl)-N-cyclooctyl-3-phenylprop-2-enamide
CID 70543952
N-cyclohexyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanamide
CID 18108649
N-cyclopentyl-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344793
N-[1-(3-aminobenzoyl)piperidin-3-yl]butanamide
CID 119761707

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)-N-cyclohexyl-4-oxobutanamide?
The IUPAC name of 4-(3-aminophenyl)-N-cyclohexyl-4-oxobutanamide (CID 94283308) is 4-(3-aminophenyl)-N-cyclohexyl-4-oxobutanamide.
What is the SMILES notation for 4-(3-aminophenyl)-N-cyclohexyl-4-oxobutanamide?
The canonical SMILES for 4-(3-aminophenyl)-N-cyclohexyl-4-oxobutanamide is Nc1cccc(C(=O)CCC(=O)NC2CCCCC2)c1.
What is the InChIKey of 4-(3-aminophenyl)-N-cyclohexyl-4-oxobutanamide?
The InChIKey is AAMSGJKBXVSFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c17-13-6-4-5-12(11-13)15(19)9-10-16(20)18-14-7-2-1-3-8-14/h4-6,11,14H,1-3,7-10,17H2,(H,18,20).
What are the key properties of 4-(3-aminophenyl)-N-cyclohexyl-4-oxobutanamide?
4-(3-aminophenyl)-N-cyclohexyl-4-oxobutanamide has a molecular weight of 274.36 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)-N-cyclohexyl-4-oxobutanamide is sourced from PubChem (CID 94283308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).