1-(3-methoxyphenyl)-5-methyl-N-[(2-phenylmethoxyphenyl)methyl]triazole-4-carboxamide

C25H24N4O3 — CID 55806463

IUPAC1-(3-methoxyphenyl)-5-methyl-N-[(2-phenylmethoxyphenyl)methyl]triazole-4-carboxamide
SMILESCOc1cccc(-n2nnc(C(=O)NCc3ccccc3OCc3ccccc3)c2C)c1
InChIInChI=1S/C25H24N4O3/c1-18-24(27-28-29(18)21-12-8-13-22(15-21)31-2)25(30)26-16-20-11-6-7-14-23(20)32-17-19-9-4-3-5-10-19/h3-15H,16-17H2,1-2H3,(H,26,30)
InChIKeyKFNRFGSJJMACFX-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.09
Rot. Bonds8

About 1-(3-methoxyphenyl)-5-methyl-N-[(2-phenylmethoxyphenyl)methyl]triazole-4-carboxamide

1-(3-methoxyphenyl)-5-methyl-N-[(2-phenylmethoxyphenyl)methyl]triazole-4-carboxamide (PubChem CID 55806463) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-5-methyl-N-[(2-phenylmethoxyphenyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-5-methyl-N-[(2-phenylmethoxyphenyl)methyl]triazole-4-carboxamide
PubChem CID55806463
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name1-(3-methoxyphenyl)-5-methyl-N-[(2-phenylmethoxyphenyl)methyl]triazole-4-carboxamide
SMILESCOc1cccc(-n2nnc(C(=O)NCc3ccccc3OCc3ccccc3)c2C)c1
InChIInChI=1S/C25H24N4O3/c1-18-24(27-28-29(18)21-12-8-13-22(15-21)31-2)25(30)26-16-20-11-6-7-14-23(20)32-17-19-9-4-3-5-10-19/h3-15H,16-17H2,1-2H3,(H,26,30)
InChIKeyKFNRFGSJJMACFX-UHFFFAOYSA-N
XLogP4.09
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-5-methyltriazole-4-carboxamide
CID 55871132
N'-(3,4-dimethoxybenzoyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carbohydrazide
CID 55648326
1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858203
1-(3-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide
CID 55667186
N-(1,3-benzothiazol-2-ylmethyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55648003
1-(4-bromophenyl)-N-[(2-ethoxyphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858206
N-(4-ethylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 16648407
N-[2-(4-bromoanilino)-2-oxoethyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55878500
N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 55886189
1-(3-methoxyphenyl)-5-methyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]triazole-4-carboxamide
CID 55681282
N-benzyl-5-(methoxymethyl)-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 16651847
N-benzyl-5-methyl-1-(4-propoxyphenyl)triazole-4-carboxamide
CID 17015548

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-5-methyl-N-[(2-phenylmethoxyphenyl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-(3-methoxyphenyl)-5-methyl-N-[(2-phenylmethoxyphenyl)methyl]triazole-4-carboxamide (CID 55806463) is 1-(3-methoxyphenyl)-5-methyl-N-[(2-phenylmethoxyphenyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(3-methoxyphenyl)-5-methyl-N-[(2-phenylmethoxyphenyl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-(3-methoxyphenyl)-5-methyl-N-[(2-phenylmethoxyphenyl)methyl]triazole-4-carboxamide is COc1cccc(-n2nnc(C(=O)NCc3ccccc3OCc3ccccc3)c2C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-5-methyl-N-[(2-phenylmethoxyphenyl)methyl]triazole-4-carboxamide?
The InChIKey is KFNRFGSJJMACFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-18-24(27-28-29(18)21-12-8-13-22(15-21)31-2)25(30)26-16-20-11-6-7-14-23(20)32-17-19-9-4-3-5-10-19/h3-15H,16-17H2,1-2H3,(H,26,30).
What are the key properties of 1-(3-methoxyphenyl)-5-methyl-N-[(2-phenylmethoxyphenyl)methyl]triazole-4-carboxamide?
1-(3-methoxyphenyl)-5-methyl-N-[(2-phenylmethoxyphenyl)methyl]triazole-4-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-5-methyl-N-[(2-phenylmethoxyphenyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 55806463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).