3-(2-aminophenyl)-N-(4-methylcyclohexyl)propanamide;hydrochloride

C16H25ClN2O — CID 120610600

IUPAC3-(2-aminophenyl)-N-(4-methylcyclohexyl)propanamide;hydrochloride
SMILESCC1CCC(NC(=O)CCc2ccccc2N)CC1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-12-6-9-14(10-7-12)18-16(19)11-8-13-4-2-3-5-15(13)17;/h2-5,12,14H,6-11,17H2,1H3,(H,18,19);1H
InChIKeyYTOSVGRDTDMLCF-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.32
Rot. Bonds4

About 3-(2-aminophenyl)-N-(4-methylcyclohexyl)propanamide;hydrochloride

3-(2-aminophenyl)-N-(4-methylcyclohexyl)propanamide;hydrochloride (PubChem CID 120610600) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(4-methylcyclohexyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(4-methylcyclohexyl)propanamide;hydrochloride
PubChem CID120610600
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name3-(2-aminophenyl)-N-(4-methylcyclohexyl)propanamide;hydrochloride
SMILESCC1CCC(NC(=O)CCc2ccccc2N)CC1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-12-6-9-14(10-7-12)18-16(19)11-8-13-4-2-3-5-15(13)17;/h2-5,12,14H,6-11,17H2,1H3,(H,18,19);1H
InChIKeyYTOSVGRDTDMLCF-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
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

3-(2-aminophenyl)-N-(4-propan-2-ylcyclohexyl)propanamide;hydrochloride
CID 120611579
4-[3-(2-aminophenyl)propanoylamino]cyclohexane-1-carboxamide
CID 107272785
4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbutanamide;hydrochloride
CID 120609190
3-(2-aminophenyl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide
CID 120608522
3-(2-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide;dihydrochloride
CID 120612227
3-(2-aminophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 120608479
N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 78786023
3-(2-aminophenyl)-N-(1-phenylpiperidin-4-yl)propanamide
CID 120612685
3-(2-aminophenyl)-N-(3-ethylsulfanylcyclopentyl)propanamide
CID 107329607
3-(2-aminophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 120612241
4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbenzamide;hydrochloride
CID 120608448
3-(2-aminophenyl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)propanamide
CID 120611650

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(4-methylcyclohexyl)propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-(4-methylcyclohexyl)propanamide;hydrochloride (CID 120610600) is 3-(2-aminophenyl)-N-(4-methylcyclohexyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-(4-methylcyclohexyl)propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-(4-methylcyclohexyl)propanamide;hydrochloride is CC1CCC(NC(=O)CCc2ccccc2N)CC1.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-(4-methylcyclohexyl)propanamide;hydrochloride?
The InChIKey is YTOSVGRDTDMLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-12-6-9-14(10-7-12)18-16(19)11-8-13-4-2-3-5-15(13)17;/h2-5,12,14H,6-11,17H2,1H3,(H,18,19);1H.
What are the key properties of 3-(2-aminophenyl)-N-(4-methylcyclohexyl)propanamide;hydrochloride?
3-(2-aminophenyl)-N-(4-methylcyclohexyl)propanamide;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(4-methylcyclohexyl)propanamide;hydrochloride is sourced from PubChem (CID 120610600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).