N-(2-aminophenyl)-2-(3-methylcyclohexyl)acetamide

C15H22N2O — CID 119422441

IUPACN-(2-aminophenyl)-2-(3-methylcyclohexyl)acetamide
SMILESCC1CCCC(CC(=O)Nc2ccccc2N)C1
InChIInChI=1S/C15H22N2O/c1-11-5-4-6-12(9-11)10-15(18)17-14-8-3-2-7-13(14)16/h2-3,7-8,11-12H,4-6,9-10,16H2,1H3,(H,17,18)
InChIKeyCKLQXWSSPBYJCT-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.42
Rot. Bonds3

About N-(2-aminophenyl)-2-(3-methylcyclohexyl)acetamide

N-(2-aminophenyl)-2-(3-methylcyclohexyl)acetamide (PubChem CID 119422441) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-(3-methylcyclohexyl)acetamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-(3-methylcyclohexyl)acetamide
PubChem CID119422441
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(2-aminophenyl)-2-(3-methylcyclohexyl)acetamide
SMILESCC1CCCC(CC(=O)Nc2ccccc2N)C1
InChIInChI=1S/C15H22N2O/c1-11-5-4-6-12(9-11)10-15(18)17-14-8-3-2-7-13(14)16/h2-3,7-8,11-12H,4-6,9-10,16H2,1H3,(H,17,18)
InChIKeyCKLQXWSSPBYJCT-UHFFFAOYSA-N
XLogP3.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.42
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-(2-aminophenyl)-2-cyclopentylacetamide;hydrochloride
CID 119259903
2-[2-[[2-(3-methylcyclohexyl)acetyl]amino]phenyl]acetic acid
CID 119218559
2-[3-[2-(2-aminoanilino)-2-oxoethyl]cyclohexyl]-N-(4-hydroxyphenyl)acetamide
CID 71483891
N-(2-aminophenyl)-2-(3-methylcyclohexyl)sulfinylacetamide
CID 62720473
2-cyclobutyl-N-(2-iodophenyl)acetamide
CID 103706273
N-[2-(ethylaminomethyl)phenyl]-2-(3-methylcyclopentyl)acetamide
CID 119440088
tert-butyl 3-[2-(2-aminoanilino)-2-oxoethyl]piperidine-1-carboxylate
CID 130474740
N-[2-(aminomethyl)phenyl]-2-cyclobutylacetamide
CID 103164982
N-(2-amino-5-chlorophenyl)-2-cycloheptylacetamide
CID 114457006
N-(2-aminophenyl)-2-[cyclopropylmethyl(methyl)amino]acetamide
CID 54884484
N-(3-amino-2-chlorophenyl)-2-cyclohexylacetamide
CID 114270030
2-[3-[[2-(3-methylcyclohexyl)acetyl]amino]phenyl]acetic acid
CID 119351587

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-(3-methylcyclohexyl)acetamide?
The IUPAC name of N-(2-aminophenyl)-2-(3-methylcyclohexyl)acetamide (CID 119422441) is N-(2-aminophenyl)-2-(3-methylcyclohexyl)acetamide.
What is the SMILES notation for N-(2-aminophenyl)-2-(3-methylcyclohexyl)acetamide?
The canonical SMILES for N-(2-aminophenyl)-2-(3-methylcyclohexyl)acetamide is CC1CCCC(CC(=O)Nc2ccccc2N)C1.
What is the InChIKey of N-(2-aminophenyl)-2-(3-methylcyclohexyl)acetamide?
The InChIKey is CKLQXWSSPBYJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-5-4-6-12(9-11)10-15(18)17-14-8-3-2-7-13(14)16/h2-3,7-8,11-12H,4-6,9-10,16H2,1H3,(H,17,18).
What are the key properties of N-(2-aminophenyl)-2-(3-methylcyclohexyl)acetamide?
N-(2-aminophenyl)-2-(3-methylcyclohexyl)acetamide has a molecular weight of 246.35 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-(3-methylcyclohexyl)acetamide is sourced from PubChem (CID 119422441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).