3-(2-aminophenyl)-N-(4-propan-2-ylcyclohexyl)propanamide;hydrochloride

C18H29ClN2O — CID 120611579

IUPAC3-(2-aminophenyl)-N-(4-propan-2-ylcyclohexyl)propanamide;hydrochloride
SMILESCC(C)C1CCC(NC(=O)CCc2ccccc2N)CC1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-13(2)14-7-10-16(11-8-14)20-18(21)12-9-15-5-3-4-6-17(15)19;/h3-6,13-14,16H,7-12,19H2,1-2H3,(H,20,21);1H
InChIKeyOPFZJIXIWOXCMC-UHFFFAOYSA-N
MW324.90 g/mol
LogP3.95
Rot. Bonds5

About 3-(2-aminophenyl)-N-(4-propan-2-ylcyclohexyl)propanamide;hydrochloride

3-(2-aminophenyl)-N-(4-propan-2-ylcyclohexyl)propanamide;hydrochloride (PubChem CID 120611579) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(4-propan-2-ylcyclohexyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(4-propan-2-ylcyclohexyl)propanamide;hydrochloride
PubChem CID120611579
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC Name3-(2-aminophenyl)-N-(4-propan-2-ylcyclohexyl)propanamide;hydrochloride
SMILESCC(C)C1CCC(NC(=O)CCc2ccccc2N)CC1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-13(2)14-7-10-16(11-8-14)20-18(21)12-9-15-5-3-4-6-17(15)19;/h3-6,13-14,16H,7-12,19H2,1-2H3,(H,20,21);1H
InChIKeyOPFZJIXIWOXCMC-UHFFFAOYSA-N
XLogP3.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 53.95
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-methylcyclohexyl)propanamide;hydrochloride
CID 120610600
4-[3-(2-aminophenyl)propanoylamino]cyclohexane-1-carboxamide
CID 107272785
4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbutanamide;hydrochloride
CID 120609190
3-(2-aminophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 120612241
3-(2-aminophenyl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide
CID 120608522
3-(2-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide;dihydrochloride
CID 120612227
3-(2-aminophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 120608479
3-(2-aminophenyl)-N-(1-phenylpiperidin-4-yl)propanamide
CID 120612685
3-(2-aminophenyl)-N-(3-ethylsulfanylcyclopentyl)propanamide
CID 107329607
3-(2-aminophenyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide
CID 120610888
4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbenzamide;hydrochloride
CID 120608448
3-(2-aminophenyl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)propanamide
CID 120611650

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(4-propan-2-ylcyclohexyl)propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-(4-propan-2-ylcyclohexyl)propanamide;hydrochloride (CID 120611579) is 3-(2-aminophenyl)-N-(4-propan-2-ylcyclohexyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-(4-propan-2-ylcyclohexyl)propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-(4-propan-2-ylcyclohexyl)propanamide;hydrochloride is CC(C)C1CCC(NC(=O)CCc2ccccc2N)CC1.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-(4-propan-2-ylcyclohexyl)propanamide;hydrochloride?
The InChIKey is OPFZJIXIWOXCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.ClH/c1-13(2)14-7-10-16(11-8-14)20-18(21)12-9-15-5-3-4-6-17(15)19;/h3-6,13-14,16H,7-12,19H2,1-2H3,(H,20,21);1H.
What are the key properties of 3-(2-aminophenyl)-N-(4-propan-2-ylcyclohexyl)propanamide;hydrochloride?
3-(2-aminophenyl)-N-(4-propan-2-ylcyclohexyl)propanamide;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(4-propan-2-ylcyclohexyl)propanamide;hydrochloride is sourced from PubChem (CID 120611579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).