N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(2-phenylphenyl)acetamide

C18H18N4O2 — CID 100679454

IUPACN-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(2-phenylphenyl)acetamide
SMILESCN(C(=O)Cn1ncn(C)c1=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C18H18N4O2/c1-20-13-19-22(18(20)24)12-17(23)21(2)16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3
InChIKeyMTAOVFHZMWPXTA-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.91
Rot. Bonds4

About N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(2-phenylphenyl)acetamide

N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(2-phenylphenyl)acetamide (PubChem CID 100679454) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(2-phenylphenyl)acetamide
PubChem CID100679454
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(2-phenylphenyl)acetamide
SMILESCN(C(=O)Cn1ncn(C)c1=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C18H18N4O2/c1-20-13-19-22(18(20)24)12-17(23)21(2)16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3
InChIKeyMTAOVFHZMWPXTA-UHFFFAOYSA-N
XLogP1.91
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(2-phenylphenyl)acetamide?
The IUPAC name of N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(2-phenylphenyl)acetamide (CID 100679454) is N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(2-phenylphenyl)acetamide?
The canonical SMILES for N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(2-phenylphenyl)acetamide is CN(C(=O)Cn1ncn(C)c1=O)c1ccccc1-c1ccccc1.
What is the InChIKey of N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(2-phenylphenyl)acetamide?
The InChIKey is MTAOVFHZMWPXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-20-13-19-22(18(20)24)12-17(23)21(2)16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3.
What are the key properties of N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(2-phenylphenyl)acetamide?
N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(2-phenylphenyl)acetamide has a molecular weight of 322.37 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 100679454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).