2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-propan-2-ylphenyl)acetamide

C20H21N3O2 — CID 2990881

IUPAC2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1
InChIInChI=1S/C20H21N3O2/c1-13(2)14-8-10-15(11-9-14)21-19(24)12-18-16-6-4-5-7-17(16)20(25)23(3)22-18/h4-11,13H,12H2,1-3H3,(H,21,24)
InChIKeyQYMXYLFATYAYJA-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.24
Rot. Bonds4

About 2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-propan-2-ylphenyl)acetamide

2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 2990881) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID2990881
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1
InChIInChI=1S/C20H21N3O2/c1-13(2)14-8-10-15(11-9-14)21-19(24)12-18-16-6-4-5-7-17(16)20(25)23(3)22-18/h4-11,13H,12H2,1-3H3,(H,21,24)
InChIKeyQYMXYLFATYAYJA-UHFFFAOYSA-N
XLogP3.24
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-propan-2-ylphenyl)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-(3-methyl-4-oxophthalazin-1-yl)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-propan-2-ylphenyl)acetamide (CID 2990881) is 2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1.
What is the InChIKey of 2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is QYMXYLFATYAYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13(2)14-8-10-15(11-9-14)21-19(24)12-18-16-6-4-5-7-17(16)20(25)23(3)22-18/h4-11,13H,12H2,1-3H3,(H,21,24).
What are the key properties of 2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-propan-2-ylphenyl)acetamide?
2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 335.41 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 2990881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).