2-(4-aminophenyl)-N-(2-methylcyclohexyl)acetamide;hydrochloride

C15H23ClN2O — CID 119676478

IUPAC2-(4-aminophenyl)-N-(2-methylcyclohexyl)acetamide;hydrochloride
SMILESCC1CCCCC1NC(=O)Cc1ccc(N)cc1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-11-4-2-3-5-14(11)17-15(18)10-12-6-8-13(16)9-7-12;/h6-9,11,14H,2-5,10,16H2,1H3,(H,17,18);1H
InChIKeyMIKJUVZNPARYLW-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.93
Rot. Bonds3

About 2-(4-aminophenyl)-N-(2-methylcyclohexyl)acetamide;hydrochloride

2-(4-aminophenyl)-N-(2-methylcyclohexyl)acetamide;hydrochloride (PubChem CID 119676478) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(2-methylcyclohexyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(2-methylcyclohexyl)acetamide;hydrochloride
PubChem CID119676478
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name2-(4-aminophenyl)-N-(2-methylcyclohexyl)acetamide;hydrochloride
SMILESCC1CCCCC1NC(=O)Cc1ccc(N)cc1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-11-4-2-3-5-14(11)17-15(18)10-12-6-8-13(16)9-7-12;/h6-9,11,14H,2-5,10,16H2,1H3,(H,17,18);1H
InChIKeyMIKJUVZNPARYLW-UHFFFAOYSA-N
XLogP2.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-2-(4-aminophenyl)acetamide
CID 122080741
2-(5-amino-2-pyridinyl)-N-(2-methylcycloheptyl)acetamide
CID 107339059
2-(3,4-dimethylphenyl)-N-(2-methylcyclohexyl)acetamide
CID 18157580
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 8613028
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556131
2-(4-aminophenyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide;dihydrochloride
CID 119857974
2-(4-aminophenyl)-N-(2-phenylcyclopentyl)acetamide;hydrochloride
CID 119783054
2-(4-aminophenyl)-N-cyclobutylacetamide
CID 62416481
2-(4-aminophenyl)-N-(3-ethyl-2-methylcyclopentyl)acetamide
CID 64922495
N-(2-methylcyclohexyl)-3-[(2-phenylacetyl)amino]propanamide
CID 24593173
1-(4-aminophenyl)-3-(2-methylcyclopentyl)urea
CID 63279412
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-methylcyclohexyl)acetamide
CID 43301392

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(2-methylcyclohexyl)acetamide;hydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-(2-methylcyclohexyl)acetamide;hydrochloride (CID 119676478) is 2-(4-aminophenyl)-N-(2-methylcyclohexyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-(2-methylcyclohexyl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-(2-methylcyclohexyl)acetamide;hydrochloride is CC1CCCCC1NC(=O)Cc1ccc(N)cc1.Cl.
What is the InChIKey of 2-(4-aminophenyl)-N-(2-methylcyclohexyl)acetamide;hydrochloride?
The InChIKey is MIKJUVZNPARYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-11-4-2-3-5-14(11)17-15(18)10-12-6-8-13(16)9-7-12;/h6-9,11,14H,2-5,10,16H2,1H3,(H,17,18);1H.
What are the key properties of 2-(4-aminophenyl)-N-(2-methylcyclohexyl)acetamide;hydrochloride?
2-(4-aminophenyl)-N-(2-methylcyclohexyl)acetamide;hydrochloride has a molecular weight of 282.81 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(2-methylcyclohexyl)acetamide;hydrochloride is sourced from PubChem (CID 119676478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).