1-[(2-methylphenyl)methyl]-N-[(1S)-1-(4-methylphenyl)propyl]triazole-4-carboxamide

C21H24N4O — CID 42213988

IUPAC1-[(2-methylphenyl)methyl]-N-[(1S)-1-(4-methylphenyl)propyl]triazole-4-carboxamide
SMILESCC[C@H](NC(=O)c1cn(Cc2ccccc2C)nn1)c1ccc(C)cc1
InChIInChI=1S/C21H24N4O/c1-4-19(17-11-9-15(2)10-12-17)22-21(26)20-14-25(24-23-20)13-18-8-6-5-7-16(18)3/h5-12,14,19H,4,13H2,1-3H3,(H,22,26)/t19-/m0/s1
InChIKeyOOUCTEPOMNFACS-IBGZPJMESA-N
MW348.45 g/mol
LogP3.82
Rot. Bonds6

About 1-[(2-methylphenyl)methyl]-N-[(1S)-1-(4-methylphenyl)propyl]triazole-4-carboxamide

1-[(2-methylphenyl)methyl]-N-[(1S)-1-(4-methylphenyl)propyl]triazole-4-carboxamide (PubChem CID 42213988) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]-N-[(1S)-1-(4-methylphenyl)propyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]-N-[(1S)-1-(4-methylphenyl)propyl]triazole-4-carboxamide
PubChem CID42213988
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name1-[(2-methylphenyl)methyl]-N-[(1S)-1-(4-methylphenyl)propyl]triazole-4-carboxamide
SMILESCC[C@H](NC(=O)c1cn(Cc2ccccc2C)nn1)c1ccc(C)cc1
InChIInChI=1S/C21H24N4O/c1-4-19(17-11-9-15(2)10-12-17)22-21(26)20-14-25(24-23-20)13-18-8-6-5-7-16(18)3/h5-12,14,19H,4,13H2,1-3H3,(H,22,26)/t19-/m0/s1
InChIKeyOOUCTEPOMNFACS-IBGZPJMESA-N
XLogP3.82
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[(2-methylphenyl)methyl]triazole-4-carboxamide
CID 42197037
1-benzyl-N-[2-(dimethylamino)-1-phenylethyl]triazole-4-carboxamide
CID 86917770
N-[(1R)-1-(4-methylphenyl)propyl]-2-methylsulfanylbenzamide
CID 28575186
1-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ylethyl)triazole-4-carboxamide
CID 26395239
1-[(2-methylphenyl)methyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide
CID 25282296
N-[1-(4-fluorophenyl)propyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide
CID 45190940
ethyl (3S)-3-[[1-[(2-fluorophenyl)methyl]triazole-4-carbonyl]amino]butanoate
CID 95722583
1-methyl-N-[1-(4-methylphenyl)propyl]-6-oxopyridazine-3-carboxamide
CID 78777843
1,5-dimethyl-N-[1-(4-methylphenyl)propyl]pyrazole-3-carboxamide
CID 19279641
2-methyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 95358385
2,4,5-trimethyl-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 100710053
N-[1-(4-methylphenyl)propyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264563

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]-N-[(1S)-1-(4-methylphenyl)propyl]triazole-4-carboxamide?
The IUPAC name of 1-[(2-methylphenyl)methyl]-N-[(1S)-1-(4-methylphenyl)propyl]triazole-4-carboxamide (CID 42213988) is 1-[(2-methylphenyl)methyl]-N-[(1S)-1-(4-methylphenyl)propyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]-N-[(1S)-1-(4-methylphenyl)propyl]triazole-4-carboxamide?
The canonical SMILES for 1-[(2-methylphenyl)methyl]-N-[(1S)-1-(4-methylphenyl)propyl]triazole-4-carboxamide is CC[C@H](NC(=O)c1cn(Cc2ccccc2C)nn1)c1ccc(C)cc1.
What is the InChIKey of 1-[(2-methylphenyl)methyl]-N-[(1S)-1-(4-methylphenyl)propyl]triazole-4-carboxamide?
The InChIKey is OOUCTEPOMNFACS-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24N4O/c1-4-19(17-11-9-15(2)10-12-17)22-21(26)20-14-25(24-23-20)13-18-8-6-5-7-16(18)3/h5-12,14,19H,4,13H2,1-3H3,(H,22,26)/t19-/m0/s1.
What are the key properties of 1-[(2-methylphenyl)methyl]-N-[(1S)-1-(4-methylphenyl)propyl]triazole-4-carboxamide?
1-[(2-methylphenyl)methyl]-N-[(1S)-1-(4-methylphenyl)propyl]triazole-4-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]-N-[(1S)-1-(4-methylphenyl)propyl]triazole-4-carboxamide is sourced from PubChem (CID 42213988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).