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

C18H17N3O2 — CID 600118

IUPAC2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1
InChIInChI=1S/C18H17N3O2/c1-12-7-9-13(10-8-12)19-17(22)11-16-14-5-3-4-6-15(14)18(23)21(2)20-16/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyFDSDNRZABDOYCL-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.42
Rot. Bonds3

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

2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylphenyl)acetamide (PubChem CID 600118) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylphenyl)acetamide
PubChem CID600118
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1
InChIInChI=1S/C18H17N3O2/c1-12-7-9-13(10-8-12)19-17(22)11-16-14-5-3-4-6-15(14)18(23)21(2)20-16/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyFDSDNRZABDOYCL-UHFFFAOYSA-N
XLogP2.42
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylphenyl)acetamide (CID 600118) is 2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1.
What is the InChIKey of 2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylphenyl)acetamide?
The InChIKey is FDSDNRZABDOYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12-7-9-13(10-8-12)19-17(22)11-16-14-5-3-4-6-15(14)18(23)21(2)20-16/h3-10H,11H2,1-2H3,(H,19,22).
What are the key properties of 2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylphenyl)acetamide?
2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylphenyl)acetamide has a molecular weight of 307.35 g/mol, XLogP of 2.42, 3 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-methylphenyl)acetamide is sourced from PubChem (CID 600118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).