1-benzyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]triazole-4-carboxamide

C19H20N4O2 — CID 51647259

IUPAC1-benzyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]triazole-4-carboxamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C19H20N4O2/c1-14(16-10-6-7-11-18(16)25-2)20-19(24)17-13-23(22-21-17)12-15-8-4-3-5-9-15/h3-11,13-14H,12H2,1-2H3,(H,20,24)/t14-/m1/s1
InChIKeyOJELWHASRMDOEW-CQSZACIVSA-N
MW336.40 g/mol
LogP2.83
Rot. Bonds6

About 1-benzyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]triazole-4-carboxamide

1-benzyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]triazole-4-carboxamide (PubChem CID 51647259) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-benzyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]triazole-4-carboxamide
PubChem CID51647259
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name1-benzyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]triazole-4-carboxamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C19H20N4O2/c1-14(16-10-6-7-11-18(16)25-2)20-19(24)17-13-23(22-21-17)12-15-8-4-3-5-9-15/h3-11,13-14H,12H2,1-2H3,(H,20,24)/t14-/m1/s1
InChIKeyOJELWHASRMDOEW-CQSZACIVSA-N
XLogP2.83
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]triazole-4-carboxamide
CID 134036989
1-benzyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide
CID 18152035
1-benzyl-N-[(1S)-1-(3,4-difluorophenyl)ethyl]triazole-4-carboxamide
CID 51646685
1-benzyl-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]triazole-4-carboxamide
CID 31031199
N-(1-amino-4-methylpentan-2-yl)-1-benzyltriazole-4-carboxamide;hydrochloride
CID 119587268
1-benzyl-N-[2-(dimethylamino)-1-phenylethyl]triazole-4-carboxamide
CID 86917770
2-[1-(1-benzyltriazol-4-yl)propan-2-yl]-6-methoxyphenol
CID 112718418
N-(2-acetamidoethyl)-1-benzyltriazole-4-carboxamide
CID 35052567
N-[1-(2-methoxyphenyl)ethyl]-2H-triazole-4-carboxamide
CID 47334802
3-(3,4-dimethoxyphenyl)-3-[[1-[(3-fluorophenyl)methyl]triazole-4-carbonyl]amino]propanoic acid
CID 75445708
1-benzyl-N-[2-(4-methylphenoxy)phenyl]triazole-4-carboxamide
CID 18152774
1-[(4-chlorophenyl)methyl]-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]triazole-4-carboxamide
CID 45249810

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]triazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]triazole-4-carboxamide (CID 51647259) is 1-benzyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]triazole-4-carboxamide is COc1ccccc1[C@@H](C)NC(=O)c1cn(Cc2ccccc2)nn1.
What is the InChIKey of 1-benzyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]triazole-4-carboxamide?
The InChIKey is OJELWHASRMDOEW-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-14(16-10-6-7-11-18(16)25-2)20-19(24)17-13-23(22-21-17)12-15-8-4-3-5-9-15/h3-11,13-14H,12H2,1-2H3,(H,20,24)/t14-/m1/s1.
What are the key properties of 1-benzyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]triazole-4-carboxamide?
1-benzyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]triazole-4-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 51647259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).