N-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyltriazole-4-carboxamide

C21H22N4O3 — CID 46416423

IUPACN-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyltriazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn(-c3ccccc3)n2)cc1OC1CCCC1
InChIInChI=1S/C21H22N4O3/c1-27-19-12-11-15(13-20(19)28-17-9-5-6-10-17)23-21(26)18-14-22-25(24-18)16-7-3-2-4-8-16/h2-4,7-8,11-14,17H,5-6,9-10H2,1H3,(H,23,26)
InChIKeyQIONFQYFYSXWMP-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.85
Rot. Bonds6

About N-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyltriazole-4-carboxamide

N-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyltriazole-4-carboxamide (PubChem CID 46416423) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyltriazole-4-carboxamide
PubChem CID46416423
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyltriazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn(-c3ccccc3)n2)cc1OC1CCCC1
InChIInChI=1S/C21H22N4O3/c1-27-19-12-11-15(13-20(19)28-17-9-5-6-10-17)23-21(26)18-14-22-25(24-18)16-7-3-2-4-8-16/h2-4,7-8,11-14,17H,5-6,9-10H2,1H3,(H,23,26)
InChIKeyQIONFQYFYSXWMP-UHFFFAOYSA-N
XLogP3.85
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-cyclopentyloxy-4-methoxyphenyl)pyridine-2-carboxamide
CID 18695632
2-phenyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide
CID 17418781
methyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)carbamoyl]benzoate
CID 19428226
methyl 2-chloro-5-[(2-phenyltriazole-4-carbonyl)amino]benzoate
CID 134003458
N-(3,4-dimethoxyphenyl)-2-methyltriazole-4-carboxamide
CID 110691494
N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenyltriazole-4-carboxamide
CID 51174918
N-(3-cyclopentyloxy-4-methoxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 31872936
N-(3-cyclopentyloxy-4-methoxyphenyl)furan-3-carboxamide
CID 31872175
2-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-difluorobenzamide
CID 31870921
N-(4-carbamoylphenyl)-2-phenyltriazole-4-carboxamide
CID 24661146
2,4-dichloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-fluorobenzamide
CID 31871992
N-(2-methyl-4-pyridinyl)-2-phenyltriazole-4-carboxamide
CID 110702383

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyltriazole-4-carboxamide (CID 46416423) is N-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyltriazole-4-carboxamide is COc1ccc(NC(=O)c2cnn(-c3ccccc3)n2)cc1OC1CCCC1.
What is the InChIKey of N-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyltriazole-4-carboxamide?
The InChIKey is QIONFQYFYSXWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-27-19-12-11-15(13-20(19)28-17-9-5-6-10-17)23-21(26)18-14-22-25(24-18)16-7-3-2-4-8-16/h2-4,7-8,11-14,17H,5-6,9-10H2,1H3,(H,23,26).
What are the key properties of N-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyltriazole-4-carboxamide?
N-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyltriazole-4-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 46416423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).