N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide

C26H25N5O3 — CID 34778567

IUPACN-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C26H25N5O3/c1-3-30(18-23(32)27-20-13-10-16-22(17-20)34-2)26(33)24-28-25(19-11-6-4-7-12-19)31(29-24)21-14-8-5-9-15-21/h4-17H,3,18H2,1-2H3,(H,27,32)
InChIKeyLQSDHRHIBIONFY-UHFFFAOYSA-N
MW455.52 g/mol
LogP4.04
Rot. Bonds8

About N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide

N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide (PubChem CID 34778567) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
PubChem CID34778567
Molecular FormulaC26H25N5O3
Molecular Weight455.52 g/mol
Exact Mass455.20
IUPAC NameN-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C26H25N5O3/c1-3-30(18-23(32)27-20-13-10-16-22(17-20)34-2)26(33)24-28-25(19-11-6-4-7-12-19)31(29-24)21-14-8-5-9-15-21/h4-17H,3,18H2,1-2H3,(H,27,32)
InChIKeyLQSDHRHIBIONFY-UHFFFAOYSA-N
XLogP4.04
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4849380
N-ethyl-1-(4-fluorophenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxamide
CID 60592438
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethyl-3-methoxybenzamide
CID 42731746
5-(3-methoxyphenyl)-1-phenyl-N-propyl-1,2,4-triazole-3-carboxamide
CID 17052437
4-chloro-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
CID 7958626
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 55344293
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 43011197
N-ethyl-2-ethylsulfonyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
CID 55383995
2-[ethyl-(2-phenoxyacetyl)amino]-N-(3-methoxyphenyl)acetamide
CID 9094787
N-ethyl-2,3,4-trimethoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
CID 55344386
1-(3-chlorophenyl)-N-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazole-3-carboxamide
CID 50745403
N-[4-[(2-methoxyacetyl)amino]phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55573470

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide (CID 34778567) is N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide is CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is LQSDHRHIBIONFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3/c1-3-30(18-23(32)27-20-13-10-16-22(17-20)34-2)26(33)24-28-25(19-11-6-4-7-12-19)31(29-24)21-14-8-5-9-15-21/h4-17H,3,18H2,1-2H3,(H,27,32).
What are the key properties of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 455.52 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 34778567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).