2-(3-aminophenyl)-N-cycloheptylacetamide

C15H22N2O — CID 28712073

IUPAC2-(3-aminophenyl)-N-cycloheptylacetamide
SMILESNc1cccc(CC(=O)NC2CCCCCC2)c1
InChIInChI=1S/C15H22N2O/c16-13-7-5-6-12(10-13)11-15(18)17-14-8-3-1-2-4-9-14/h5-7,10,14H,1-4,8-9,11,16H2,(H,17,18)
InChIKeyHGKMIIFAZXVEFN-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.65
Rot. Bonds3

About 2-(3-aminophenyl)-N-cycloheptylacetamide

2-(3-aminophenyl)-N-cycloheptylacetamide (PubChem CID 28712073) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-cycloheptylacetamide
PubChem CID28712073
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(3-aminophenyl)-N-cycloheptylacetamide
SMILESNc1cccc(CC(=O)NC2CCCCCC2)c1
InChIInChI=1S/C15H22N2O/c16-13-7-5-6-12(10-13)11-15(18)17-14-8-3-1-2-4-9-14/h5-7,10,14H,1-4,8-9,11,16H2,(H,17,18)
InChIKeyHGKMIIFAZXVEFN-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
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

2-(3-aminophenyl)-N-cyclohexylacetamide
CID 28689689
2-(3-aminophenyl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide
CID 28689697
N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 6467373
[2-(cyclopentylamino)-2-oxoethyl] 3-(3-aminophenyl)propanoate
CID 80695406
2-(3-bromophenyl)-N-cyclopentylacetamide
CID 62605138
1-[(3-aminophenyl)methyl]-3-cyclohexyl-1-cyclopropylurea
CID 43460769
4-(3-aminophenyl)-N-cyclohexyl-4-oxobutanamide
CID 94283308
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
2-(3-aminophenyl)-N-(2-ethylcyclohexyl)acetamide
CID 55083950
2-[4-(aminomethyl)phenyl]-N-cyclooctylacetamide
CID 63588883
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876
2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 28689695

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-cycloheptylacetamide?
The IUPAC name of 2-(3-aminophenyl)-N-cycloheptylacetamide (CID 28712073) is 2-(3-aminophenyl)-N-cycloheptylacetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-cycloheptylacetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-cycloheptylacetamide is Nc1cccc(CC(=O)NC2CCCCCC2)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-cycloheptylacetamide?
The InChIKey is HGKMIIFAZXVEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c16-13-7-5-6-12(10-13)11-15(18)17-14-8-3-1-2-4-9-14/h5-7,10,14H,1-4,8-9,11,16H2,(H,17,18).
What are the key properties of 2-(3-aminophenyl)-N-cycloheptylacetamide?
2-(3-aminophenyl)-N-cycloheptylacetamide has a molecular weight of 246.35 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-cycloheptylacetamide is sourced from PubChem (CID 28712073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).