N-cyclopentyl-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide

C20H22N4O — CID 53111456

IUPACN-cyclopentyl-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
SMILESCc1ccc(Cn2nnc3cc(C(=O)NC4CCCC4)ccc32)cc1
InChIInChI=1S/C20H22N4O/c1-14-6-8-15(9-7-14)13-24-19-11-10-16(12-18(19)22-23-24)20(25)21-17-4-2-3-5-17/h6-12,17H,2-5,13H2,1H3,(H,21,25)
InChIKeyFXNULYTXWWIRIE-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.46
Rot. Bonds4

About N-cyclopentyl-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide

N-cyclopentyl-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide (PubChem CID 53111456) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-cyclopentyl-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
PubChem CID53111456
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-cyclopentyl-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
SMILESCc1ccc(Cn2nnc3cc(C(=O)NC4CCCC4)ccc32)cc1
InChIInChI=1S/C20H22N4O/c1-14-6-8-15(9-7-14)13-24-19-11-10-16(12-18(19)22-23-24)20(25)21-17-4-2-3-5-17/h6-12,17H,2-5,13H2,1H3,(H,21,25)
InChIKeyFXNULYTXWWIRIE-UHFFFAOYSA-N
XLogP3.46
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-1-[(3-methoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53111392
N-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111478
N-(4-acetamidophenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111510
N-cyclopentyl-1-[2-[(3,5-dimethylphenyl)carbamoylamino]ethyl]benzotriazole-5-carboxamide
CID 53121155
1-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111176
N-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111468
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111501
3,4-dihydro-1H-isoquinolin-2-yl-[1-[(4-methylphenyl)methyl]benzotriazol-5-yl]methanone
CID 53111474
1-ethyl-N-[(1R,2R)-2-methylcyclohexyl]benzotriazole-5-carboxamide
CID 26800374
N-[2-(1H-indol-3-yl)ethyl]-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53007704
N-ethyl-1-[(4-fluorophenyl)methyl]benzotriazole-5-carboxamide
CID 53111432
N-cyclooctyl-4-methylbenzamide
CID 3995245

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide?
The IUPAC name of N-cyclopentyl-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide (CID 53111456) is N-cyclopentyl-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide is Cc1ccc(Cn2nnc3cc(C(=O)NC4CCCC4)ccc32)cc1.
What is the InChIKey of N-cyclopentyl-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide?
The InChIKey is FXNULYTXWWIRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14-6-8-15(9-7-14)13-24-19-11-10-16(12-18(19)22-23-24)20(25)21-17-4-2-3-5-17/h6-12,17H,2-5,13H2,1H3,(H,21,25).
What are the key properties of N-cyclopentyl-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide?
N-cyclopentyl-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide is sourced from PubChem (CID 53111456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).