2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide

C19H19N3O2 — CID 38295923

IUPAC2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)Cn2nc(C)c3ccccc3c2=O)c1
InChIInChI=1S/C19H19N3O2/c1-13-6-5-7-15(10-13)11-20-18(23)12-22-19(24)17-9-4-3-8-16(17)14(2)21-22/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyXVRIMWQJXJLPQL-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.33
Rot. Bonds4

About 2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide

2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 38295923) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide
PubChem CID38295923
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)Cn2nc(C)c3ccccc3c2=O)c1
InChIInChI=1S/C19H19N3O2/c1-13-6-5-7-15(10-13)11-20-18(23)12-22-19(24)17-9-4-3-8-16(17)14(2)21-22/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyXVRIMWQJXJLPQL-UHFFFAOYSA-N
XLogP2.33
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide (CID 38295923) is 2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide is Cc1cccc(CNC(=O)Cn2nc(C)c3ccccc3c2=O)c1.
What is the InChIKey of 2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is XVRIMWQJXJLPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13-6-5-7-15(10-13)11-20-18(23)12-22-19(24)17-9-4-3-8-16(17)14(2)21-22/h3-10H,11-12H2,1-2H3,(H,20,23).
What are the key properties of 2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide?
2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 321.38 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 38295923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).