4-[3-(2-aminophenyl)propanoylamino]cyclohexane-1-carboxamide

C16H23N3O2 — CID 107272785

IUPAC4-[3-(2-aminophenyl)propanoylamino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NC(=O)CCc2ccccc2N)CC1
InChIInChI=1S/C16H23N3O2/c17-14-4-2-1-3-11(14)7-10-15(20)19-13-8-5-12(6-9-13)16(18)21/h1-4,12-13H,5-10,17H2,(H2,18,21)(H,19,20)
InChIKeyHTMIBCLNCFGYFG-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.36
Rot. Bonds5

About 4-[3-(2-aminophenyl)propanoylamino]cyclohexane-1-carboxamide

4-[3-(2-aminophenyl)propanoylamino]cyclohexane-1-carboxamide (PubChem CID 107272785) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-[3-(2-aminophenyl)propanoylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[3-(2-aminophenyl)propanoylamino]cyclohexane-1-carboxamide
PubChem CID107272785
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-[3-(2-aminophenyl)propanoylamino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NC(=O)CCc2ccccc2N)CC1
InChIInChI=1S/C16H23N3O2/c17-14-4-2-1-3-11(14)7-10-15(20)19-13-8-5-12(6-9-13)16(18)21/h1-4,12-13H,5-10,17H2,(H2,18,21)(H,19,20)
InChIKeyHTMIBCLNCFGYFG-UHFFFAOYSA-N
XLogP1.36
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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
3-(2-aminophenyl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide
CID 120608522
3-(2-aminophenyl)-N-(4-propan-2-ylcyclohexyl)propanamide;hydrochloride
CID 120611579
4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbutanamide;hydrochloride
CID 120609190
3-(2-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide;dihydrochloride
CID 120612227
3-(2-aminophenyl)-N-(1-phenylpiperidin-4-yl)propanamide
CID 120612685
3-(2-aminophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 120612241
3-(2-aminophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 120608479
3-(2-aminophenyl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)propanamide
CID 120611650
3-(2-aminophenyl)-N-(3-ethylsulfanylcyclopentyl)propanamide
CID 107329607
N-[2-(aminomethyl)cyclohexyl]-3-(2-aminophenyl)propanamide
CID 122080752
3-(2-aminophenyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide
CID 120610888

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-aminophenyl)propanoylamino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[3-(2-aminophenyl)propanoylamino]cyclohexane-1-carboxamide (CID 107272785) is 4-[3-(2-aminophenyl)propanoylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[3-(2-aminophenyl)propanoylamino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[3-(2-aminophenyl)propanoylamino]cyclohexane-1-carboxamide is NC(=O)C1CCC(NC(=O)CCc2ccccc2N)CC1.
What is the InChIKey of 4-[3-(2-aminophenyl)propanoylamino]cyclohexane-1-carboxamide?
The InChIKey is HTMIBCLNCFGYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-14-4-2-1-3-11(14)7-10-15(20)19-13-8-5-12(6-9-13)16(18)21/h1-4,12-13H,5-10,17H2,(H2,18,21)(H,19,20).
What are the key properties of 4-[3-(2-aminophenyl)propanoylamino]cyclohexane-1-carboxamide?
4-[3-(2-aminophenyl)propanoylamino]cyclohexane-1-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-aminophenyl)propanoylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 107272785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).