N-[(2-methoxyphenyl)methyl]-1-phenyl-5-propyltriazole-4-carboxamide

C20H22N4O2 — CID 17015483

IUPACN-[(2-methoxyphenyl)methyl]-1-phenyl-5-propyltriazole-4-carboxamide
SMILESCCCc1c(C(=O)NCc2ccccc2OC)nnn1-c1ccccc1
InChIInChI=1S/C20H22N4O2/c1-3-9-17-19(22-23-24(17)16-11-5-4-6-12-16)20(25)21-14-15-10-7-8-13-18(15)26-2/h4-8,10-13H,3,9,14H2,1-2H3,(H,21,25)
InChIKeyWHRDQZPDSBYCFR-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.16
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-1-phenyl-5-propyltriazole-4-carboxamide

N-[(2-methoxyphenyl)methyl]-1-phenyl-5-propyltriazole-4-carboxamide (PubChem CID 17015483) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-phenyl-5-propyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-phenyl-5-propyltriazole-4-carboxamide
PubChem CID17015483
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-phenyl-5-propyltriazole-4-carboxamide
SMILESCCCc1c(C(=O)NCc2ccccc2OC)nnn1-c1ccccc1
InChIInChI=1S/C20H22N4O2/c1-3-9-17-19(22-23-24(17)16-11-5-4-6-12-16)20(25)21-14-15-10-7-8-13-18(15)26-2/h4-8,10-13H,3,9,14H2,1-2H3,(H,21,25)
InChIKeyWHRDQZPDSBYCFR-UHFFFAOYSA-N
XLogP3.16
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-phenyl-5-propyltriazole-4-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-phenyl-5-propyltriazole-4-carboxamide (CID 17015483) is N-[(2-methoxyphenyl)methyl]-1-phenyl-5-propyltriazole-4-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-phenyl-5-propyltriazole-4-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-phenyl-5-propyltriazole-4-carboxamide is CCCc1c(C(=O)NCc2ccccc2OC)nnn1-c1ccccc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-phenyl-5-propyltriazole-4-carboxamide?
The InChIKey is WHRDQZPDSBYCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-3-9-17-19(22-23-24(17)16-11-5-4-6-12-16)20(25)21-14-15-10-7-8-13-18(15)26-2/h4-8,10-13H,3,9,14H2,1-2H3,(H,21,25).
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-phenyl-5-propyltriazole-4-carboxamide?
N-[(2-methoxyphenyl)methyl]-1-phenyl-5-propyltriazole-4-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1-phenyl-5-propyltriazole-4-carboxamide is sourced from PubChem (CID 17015483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).