N-(2-ethylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide

C23H22N4O2 — CID 53111169

IUPACN-(2-ethylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccc2c(c1)nnn2Cc1ccc(OC)cc1
InChIInChI=1S/C23H22N4O2/c1-3-17-6-4-5-7-20(17)24-23(28)18-10-13-22-21(14-18)25-26-27(22)15-16-8-11-19(29-2)12-9-16/h4-14H,3,15H2,1-2H3,(H,24,28)
InChIKeyUFWHLLMQEMOPKN-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.30
Rot. Bonds6

About N-(2-ethylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide

N-(2-ethylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide (PubChem CID 53111169) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-(2-ethylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide
PubChem CID53111169
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC NameN-(2-ethylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccc2c(c1)nnn2Cc1ccc(OC)cc1
InChIInChI=1S/C23H22N4O2/c1-3-17-6-4-5-7-20(17)24-23(28)18-10-13-22-21(14-18)25-26-27(22)15-16-8-11-19(29-2)12-9-16/h4-14H,3,15H2,1-2H3,(H,24,28)
InChIKeyUFWHLLMQEMOPKN-UHFFFAOYSA-N
XLogP4.30
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-(2-ethylphenyl)benzotriazole-5-carboxamide
CID 8839386
1-[(4-methoxyphenyl)methyl]-N-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53085070
N-(2-ethylphenyl)-1-propylbenzotriazole-5-carboxamide
CID 53051719
N-(4-acetylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53111154
1-ethyl-N-[2-(4-methoxyanilino)phenyl]benzotriazole-5-carboxamide
CID 8013290
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-(furan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53111173
N-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111478
1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53085114
N-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53085132
1-[(4-methoxyphenyl)methyl]-N-(3-piperidin-1-ylpropyl)benzotriazole-5-carboxamide
CID 53111224

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide (CID 53111169) is N-(2-ethylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide is CCc1ccccc1NC(=O)c1ccc2c(c1)nnn2Cc1ccc(OC)cc1.
What is the InChIKey of N-(2-ethylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide?
The InChIKey is UFWHLLMQEMOPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-3-17-6-4-5-7-20(17)24-23(28)18-10-13-22-21(14-18)25-26-27(22)15-16-8-11-19(29-2)12-9-16/h4-14H,3,15H2,1-2H3,(H,24,28).
What are the key properties of N-(2-ethylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide?
N-(2-ethylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide is sourced from PubChem (CID 53111169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).