1-(3-naphthalen-2-ylpropanoylamino)cyclohexane-1-carboxamide

C20H24N2O2 — CID 170732644

IUPAC1-(3-naphthalen-2-ylpropanoylamino)cyclohexane-1-carboxamide
SMILESNC(=O)C1(NC(=O)CCc2ccc3ccccc3c2)CCCCC1
InChIInChI=1S/C20H24N2O2/c21-19(24)20(12-4-1-5-13-20)22-18(23)11-9-15-8-10-16-6-2-3-7-17(16)14-15/h2-3,6-8,10,14H,1,4-5,9,11-13H2,(H2,21,24)(H,22,23)
InChIKeyCGCOANKXKIZGRS-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.08
Rot. Bonds5

About 1-(3-naphthalen-2-ylpropanoylamino)cyclohexane-1-carboxamide

1-(3-naphthalen-2-ylpropanoylamino)cyclohexane-1-carboxamide (PubChem CID 170732644) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-(3-naphthalen-2-ylpropanoylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(3-naphthalen-2-ylpropanoylamino)cyclohexane-1-carboxamide
PubChem CID170732644
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-(3-naphthalen-2-ylpropanoylamino)cyclohexane-1-carboxamide
SMILESNC(=O)C1(NC(=O)CCc2ccc3ccccc3c2)CCCCC1
InChIInChI=1S/C20H24N2O2/c21-19(24)20(12-4-1-5-13-20)22-18(23)11-9-15-8-10-16-6-2-3-7-17(16)14-15/h2-3,6-8,10,14H,1,4-5,9,11-13H2,(H2,21,24)(H,22,23)
InChIKeyCGCOANKXKIZGRS-UHFFFAOYSA-N
XLogP3.08
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-naphthalen-2-ylacetyl)amino]cyclobutane-1-carboxylic acid
CID 81164008
1-(3-aminopropanoylamino)cyclohexane-1-carboxamide
CID 119296087
N-(2-amino-1-cyclohexyl-2-oxoethyl)-3-naphthalen-2-ylpropanamide
CID 142442818
N-methyl-3-naphthalen-2-ylpropanamide
CID 47293107
N-[2-(aminomethyl)cyclohexyl]-3-naphthalen-2-ylpropanamide
CID 119611998
1-[3-(4-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 43132383
N-[3-(aminomethyl)pentan-3-yl]-3-naphthalen-2-ylpropanamide
CID 119571535
3-[6-(3-hydrazinyl-3-oxopropyl)naphthalen-2-yl]propanehydrazide
CID 166059452
1-(4-aminobutanoylamino)cyclohexane-1-carboxamide
CID 119296103
1-[3-[3-(methylcarbamoyl)phenyl]propanoylamino]cyclohexane-1-carboxylic acid
CID 120512710
1-[3-[3-(methylcarbamoyl)phenyl]propanoylamino]cycloheptane-1-carboxylic acid
CID 120538700
3-methyl-2-(3-naphthalen-2-ylpropanoylamino)pentanamide
CID 142442459

Frequently Asked Questions

What is the IUPAC name of 1-(3-naphthalen-2-ylpropanoylamino)cyclohexane-1-carboxamide?
The IUPAC name of 1-(3-naphthalen-2-ylpropanoylamino)cyclohexane-1-carboxamide (CID 170732644) is 1-(3-naphthalen-2-ylpropanoylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(3-naphthalen-2-ylpropanoylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(3-naphthalen-2-ylpropanoylamino)cyclohexane-1-carboxamide is NC(=O)C1(NC(=O)CCc2ccc3ccccc3c2)CCCCC1.
What is the InChIKey of 1-(3-naphthalen-2-ylpropanoylamino)cyclohexane-1-carboxamide?
The InChIKey is CGCOANKXKIZGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c21-19(24)20(12-4-1-5-13-20)22-18(23)11-9-15-8-10-16-6-2-3-7-17(16)14-15/h2-3,6-8,10,14H,1,4-5,9,11-13H2,(H2,21,24)(H,22,23).
What are the key properties of 1-(3-naphthalen-2-ylpropanoylamino)cyclohexane-1-carboxamide?
1-(3-naphthalen-2-ylpropanoylamino)cyclohexane-1-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-naphthalen-2-ylpropanoylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 170732644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).