N-[(1R)-2-amino-2-oxo-1-phenylethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide

C19H19N5O2 — CID 94595018

IUPACN-[(1R)-2-amino-2-oxo-1-phenylethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(-n2nnc(C(=O)N[C@@H](C(N)=O)c3ccccc3)c2C)cc1
InChIInChI=1S/C19H19N5O2/c1-12-8-10-15(11-9-12)24-13(2)16(22-23-24)19(26)21-17(18(20)25)14-6-4-3-5-7-14/h3-11,17H,1-2H3,(H2,20,25)(H,21,26)/t17-/m1/s1
InChIKeyFNNHQIKPSFQGBM-QGZVFWFLSA-N
MW349.39 g/mol
LogP1.84
Rot. Bonds5

About N-[(1R)-2-amino-2-oxo-1-phenylethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide (PubChem CID 94595018) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
PubChem CID94595018
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(-n2nnc(C(=O)N[C@@H](C(N)=O)c3ccccc3)c2C)cc1
InChIInChI=1S/C19H19N5O2/c1-12-8-10-15(11-9-12)24-13(2)16(22-23-24)19(26)21-17(18(20)25)14-6-4-3-5-7-14/h3-11,17H,1-2H3,(H2,20,25)(H,21,26)/t17-/m1/s1
InChIKeyFNNHQIKPSFQGBM-QGZVFWFLSA-N
XLogP1.84
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]butanoic acid
CID 119170359
1-(4-fluorophenyl)-5-methyl-N-[(1R)-1-phenylethyl]triazole-4-carboxamide
CID 27245858
1-(3,4-dimethylphenyl)-5-methyl-N-(1-phenylethyl)triazole-4-carboxamide
CID 46858342
methyl 3-[(5-methyl-1-phenyltriazole-4-carbonyl)amino]-3-phenylpropanoate
CID 47062002
N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methyl-1-phenyltriazole-4-carboxamide
CID 27261462
N-[3-[(1S)-1-hydroxyethyl]phenyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 27245369
N-[2,6-di(propan-2-yl)phenyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 60527228
5-methyl-N-[2-(methylamino)propyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 120829414
4-methyl-2-[[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]methyl]pentanoic acid
CID 119253620
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide;hydrochloride
CID 119607707
N-(1-ethoxy-3-methylbutan-2-yl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 86819205
N-(2,4-dimethylphenyl)-5-methyl-1-phenyltriazole-4-carboxamide
CID 2150249

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide?
The IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide (CID 94595018) is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide is Cc1ccc(-n2nnc(C(=O)N[C@@H](C(N)=O)c3ccccc3)c2C)cc1.
What is the InChIKey of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide?
The InChIKey is FNNHQIKPSFQGBM-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-12-8-10-15(11-9-12)24-13(2)16(22-23-24)19(26)21-17(18(20)25)14-6-4-3-5-7-14/h3-11,17H,1-2H3,(H2,20,25)(H,21,26)/t17-/m1/s1.
What are the key properties of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide?
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 94595018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).