N-(2-aminophenyl)-3-cyclohexylbutanamide;hydrochloride

C16H25ClN2O — CID 119422685

IUPACN-(2-aminophenyl)-3-cyclohexylbutanamide;hydrochloride
SMILESCC(CC(=O)Nc1ccccc1N)C1CCCCC1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-12(13-7-3-2-4-8-13)11-16(19)18-15-10-6-5-9-14(15)17;/h5-6,9-10,12-13H,2-4,7-8,11,17H2,1H3,(H,18,19);1H
InChIKeyKCBYPPCQMXFAGV-UHFFFAOYSA-N
MW296.84 g/mol
LogP4.24
Rot. Bonds4

About N-(2-aminophenyl)-3-cyclohexylbutanamide;hydrochloride

N-(2-aminophenyl)-3-cyclohexylbutanamide;hydrochloride (PubChem CID 119422685) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-cyclohexylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-cyclohexylbutanamide;hydrochloride
PubChem CID119422685
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC NameN-(2-aminophenyl)-3-cyclohexylbutanamide;hydrochloride
SMILESCC(CC(=O)Nc1ccccc1N)C1CCCCC1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-12(13-7-3-2-4-8-13)11-16(19)18-15-10-6-5-9-14(15)17;/h5-6,9-10,12-13H,2-4,7-8,11,17H2,1H3,(H,18,19);1H
InChIKeyKCBYPPCQMXFAGV-UHFFFAOYSA-N
XLogP4.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-methylphenyl)-3-cyclohexylbutanamide;hydrochloride
CID 120569234
N-(2-aminophenyl)-2-cyclopentylacetamide;hydrochloride
CID 119259903
N-(2-aminophenyl)-3-cyclohexyl-2-methylpropanamide
CID 119422452
N-(2-aminophenyl)-3-ethylpentanamide
CID 119422237
N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670792
N-(2-tert-butylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119399928
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119828880
N-(2-aminophenyl)-2-cyclopentylsulfanylacetamide
CID 63114529
N-(2-aminophenyl)-3-propan-2-yloxypropanamide;hydrochloride
CID 119422035
N-(2-aminophenyl)-3,3-diphenylpropanamide
CID 28866940
N-(2-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670527
N-(2-aminophenyl)-4-[cyclohexyl(methyl)amino]butanamide
CID 16794531

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-cyclohexylbutanamide;hydrochloride?
The IUPAC name of N-(2-aminophenyl)-3-cyclohexylbutanamide;hydrochloride (CID 119422685) is N-(2-aminophenyl)-3-cyclohexylbutanamide;hydrochloride.
What is the SMILES notation for N-(2-aminophenyl)-3-cyclohexylbutanamide;hydrochloride?
The canonical SMILES for N-(2-aminophenyl)-3-cyclohexylbutanamide;hydrochloride is CC(CC(=O)Nc1ccccc1N)C1CCCCC1.Cl.
What is the InChIKey of N-(2-aminophenyl)-3-cyclohexylbutanamide;hydrochloride?
The InChIKey is KCBYPPCQMXFAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-12(13-7-3-2-4-8-13)11-16(19)18-15-10-6-5-9-14(15)17;/h5-6,9-10,12-13H,2-4,7-8,11,17H2,1H3,(H,18,19);1H.
What are the key properties of N-(2-aminophenyl)-3-cyclohexylbutanamide;hydrochloride?
N-(2-aminophenyl)-3-cyclohexylbutanamide;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-cyclohexylbutanamide;hydrochloride is sourced from PubChem (CID 119422685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).