3-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)propanamide

C17H26N2O — CID 79872318

IUPAC3-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)propanamide
SMILESCC1(C)CCCCC1NC(=O)CCc1ccccc1N
InChIInChI=1S/C17H26N2O/c1-17(2)12-6-5-9-15(17)19-16(20)11-10-13-7-3-4-8-14(13)18/h3-4,7-8,15H,5-6,9-12,18H2,1-2H3,(H,19,20)
InChIKeyWXPJXYCLCMCYIQ-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.29
Rot. Bonds4

About 3-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)propanamide

3-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)propanamide (PubChem CID 79872318) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)propanamide
PubChem CID79872318
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)propanamide
SMILESCC1(C)CCCCC1NC(=O)CCc1ccccc1N
InChIInChI=1S/C17H26N2O/c1-17(2)12-6-5-9-15(17)19-16(20)11-10-13-7-3-4-8-14(13)18/h3-4,7-8,15H,5-6,9-12,18H2,1-2H3,(H,19,20)
InChIKeyWXPJXYCLCMCYIQ-UHFFFAOYSA-N
XLogP3.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.29
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-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)acetamide
CID 79855624
3-(2-aminophenyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide;hydrochloride
CID 120607988
3-(2-aminophenyl)-N-(2-ethylcyclohexyl)propanamide;hydrochloride
CID 120609307
3-(2-aminophenyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide
CID 120611761
3-(2-aminophenyl)-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide
CID 120611376
N-[2-(aminomethyl)cyclohexyl]-3-(2-aminophenyl)propanamide
CID 122080752
3-(2-aminophenyl)-N-(4-methylcyclohexyl)propanamide;hydrochloride
CID 120610600
3-chloro-N-(2,2-dimethylcyclohexyl)propanamide
CID 79870321
3-(2-aminophenyl)-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)propanamide;hydrochloride
CID 120611037
3-(2-aminophenyl)-N-(4-propan-2-ylcyclohexyl)propanamide;hydrochloride
CID 120611579
3-(2-aminophenyl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide
CID 120608522
1-methyl-2-(3-phenylpropanoylamino)cyclohexane-1-carboxylic acid
CID 83209928

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)propanamide (CID 79872318) is 3-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)propanamide is CC1(C)CCCCC1NC(=O)CCc1ccccc1N.
What is the InChIKey of 3-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)propanamide?
The InChIKey is WXPJXYCLCMCYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-17(2)12-6-5-9-15(17)19-16(20)11-10-13-7-3-4-8-14(13)18/h3-4,7-8,15H,5-6,9-12,18H2,1-2H3,(H,19,20).
What are the key properties of 3-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)propanamide?
3-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)propanamide has a molecular weight of 274.41 g/mol, XLogP of 3.29, 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-(2,2-dimethylcyclohexyl)propanamide is sourced from PubChem (CID 79872318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).