3-(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)-N-naphthalen-1-ylpropanamide

C23H28N4O — CID 121346194

IUPAC3-(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)-N-naphthalen-1-ylpropanamide
SMILESCCn1c(CCC(=O)Nc2cccc3ccccc23)nnc1C1CCCCC1
InChIInChI=1S/C23H28N4O/c1-2-27-21(25-26-23(27)18-10-4-3-5-11-18)15-16-22(28)24-20-14-8-12-17-9-6-7-13-19(17)20/h6-9,12-14,18H,2-5,10-11,15-16H2,1H3,(H,24,28)
InChIKeyRWFNZWUOJSDHGW-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.07
Rot. Bonds6

About 3-(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)-N-naphthalen-1-ylpropanamide

3-(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)-N-naphthalen-1-ylpropanamide (PubChem CID 121346194) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 3-(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)-N-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name3-(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)-N-naphthalen-1-ylpropanamide
PubChem CID121346194
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name3-(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)-N-naphthalen-1-ylpropanamide
SMILESCCn1c(CCC(=O)Nc2cccc3ccccc23)nnc1C1CCCCC1
InChIInChI=1S/C23H28N4O/c1-2-27-21(25-26-23(27)18-10-4-3-5-11-18)15-16-22(28)24-20-14-8-12-17-9-6-7-13-19(17)20/h6-9,12-14,18H,2-5,10-11,15-16H2,1H3,(H,24,28)
InChIKeyRWFNZWUOJSDHGW-UHFFFAOYSA-N
XLogP5.07
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2-Cyclohexylethyl)-4-Ethyl-1,2,4-Triazol-3-Yl]-N-Naphthalen-1-Yl-Propanamide
CID 118704903
3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide
CID 74222010
3-[4-ethyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide
CID 121345638
3-[4-cyclopropyl-5-(4-methylpentyl)-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide
CID 121345804
N-(3-chloro-2-methylphenyl)-3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]propanamide
CID 121345817
3-[5-(2-cyclohexylethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide
CID 121345862
3-[5-(2-cyclohexylethyl)-4-(2,2-difluorocyclopropyl)-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide
CID 121345920
3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide
CID 121346173
3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]-2-methyl-N-naphthalen-1-ylpropanamide
CID 121346196
3-[5-(3,3-dimethylbutyl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide
CID 121346198
3-[4-cyclopropyl-5-[4-(2-methylpropyl)phenyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide
CID 121346230
2-[[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CID 127033009

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)-N-naphthalen-1-ylpropanamide?
The IUPAC name of 3-(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)-N-naphthalen-1-ylpropanamide (CID 121346194) is 3-(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)-N-naphthalen-1-ylpropanamide.
What is the SMILES notation for 3-(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)-N-naphthalen-1-ylpropanamide?
The canonical SMILES for 3-(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)-N-naphthalen-1-ylpropanamide is CCn1c(CCC(=O)Nc2cccc3ccccc23)nnc1C1CCCCC1.
What is the InChIKey of 3-(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)-N-naphthalen-1-ylpropanamide?
The InChIKey is RWFNZWUOJSDHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-2-27-21(25-26-23(27)18-10-4-3-5-11-18)15-16-22(28)24-20-14-8-12-17-9-6-7-13-19(17)20/h6-9,12-14,18H,2-5,10-11,15-16H2,1H3,(H,24,28).
What are the key properties of 3-(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)-N-naphthalen-1-ylpropanamide?
3-(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)-N-naphthalen-1-ylpropanamide has a molecular weight of 376.50 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)-N-naphthalen-1-ylpropanamide is sourced from PubChem (CID 121346194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).