3-(2-aminophenyl)-N-(1-cyclohexylpropyl)propanamide

C18H28N2O — CID 62406368

IUPAC3-(2-aminophenyl)-N-(1-cyclohexylpropyl)propanamide
SMILESCCC(NC(=O)CCc1ccccc1N)C1CCCCC1
InChIInChI=1S/C18H28N2O/c1-2-17(15-9-4-3-5-10-15)20-18(21)13-12-14-8-6-7-11-16(14)19/h6-8,11,15,17H,2-5,9-10,12-13,19H2,1H3,(H,20,21)
InChIKeyQSDVTRGGDBBZTE-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.68
Rot. Bonds6

About 3-(2-aminophenyl)-N-(1-cyclohexylpropyl)propanamide

3-(2-aminophenyl)-N-(1-cyclohexylpropyl)propanamide (PubChem CID 62406368) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(1-cyclohexylpropyl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(1-cyclohexylpropyl)propanamide
PubChem CID62406368
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name3-(2-aminophenyl)-N-(1-cyclohexylpropyl)propanamide
SMILESCCC(NC(=O)CCc1ccccc1N)C1CCCCC1
InChIInChI=1S/C18H28N2O/c1-2-17(15-9-4-3-5-10-15)20-18(21)13-12-14-8-6-7-11-16(14)19/h6-8,11,15,17H,2-5,9-10,12-13,19H2,1H3,(H,20,21)
InChIKeyQSDVTRGGDBBZTE-UHFFFAOYSA-N
XLogP3.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.68
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
2-[3-(2-aminophenyl)propanoylamino]-3-methylbutanamide
CID 107329581
N-(2-amino-1-cyclohexylethyl)-3-phenylpropanamide;hydrochloride
CID 119260925
2-[3-(2-aminophenyl)propanoylamino]-N-butan-2-ylpropanamide;hydrochloride
CID 120609968
3-(2-aminophenyl)-N-(2-ethylcyclohexyl)propanamide;hydrochloride
CID 120609307
N-[2-(aminomethyl)cyclohexyl]-3-(2-aminophenyl)propanamide
CID 122080752
3-(2-aminophenyl)-N-[1-(4-benzylmorpholin-2-yl)propyl]propanamide
CID 120613507
methyl 2-[3-(2-aminophenyl)propanoylamino]propanoate
CID 107273028
2-chloro-N-(1-cyclohexylpropyl)-2-phenylacetamide
CID 62407196
3-(2-aminophenyl)-N-(4-methylcyclohexyl)propanamide;hydrochloride
CID 120610600
3-(2-aminophenyl)-N-(1-pyridin-4-ylpropyl)propanamide
CID 120613150
3-(2-aminophenyl)-N-(2-methyl-2-phenylpentan-3-yl)propanamide
CID 120611247

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(1-cyclohexylpropyl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-(1-cyclohexylpropyl)propanamide (CID 62406368) is 3-(2-aminophenyl)-N-(1-cyclohexylpropyl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-(1-cyclohexylpropyl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-(1-cyclohexylpropyl)propanamide is CCC(NC(=O)CCc1ccccc1N)C1CCCCC1.
What is the InChIKey of 3-(2-aminophenyl)-N-(1-cyclohexylpropyl)propanamide?
The InChIKey is QSDVTRGGDBBZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-17(15-9-4-3-5-10-15)20-18(21)13-12-14-8-6-7-11-16(14)19/h6-8,11,15,17H,2-5,9-10,12-13,19H2,1H3,(H,20,21).
What are the key properties of 3-(2-aminophenyl)-N-(1-cyclohexylpropyl)propanamide?
3-(2-aminophenyl)-N-(1-cyclohexylpropyl)propanamide has a molecular weight of 288.43 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(1-cyclohexylpropyl)propanamide is sourced from PubChem (CID 62406368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).