2-(4-methyl-1-oxophthalazin-2-yl)-N-(1-phenylethyl)acetamide

C19H19N3O2 — CID 661228

IUPAC2-(4-methyl-1-oxophthalazin-2-yl)-N-(1-phenylethyl)acetamide
SMILESCc1nn(CC(=O)NC(C)c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C19H19N3O2/c1-13(15-8-4-3-5-9-15)20-18(23)12-22-19(24)17-11-7-6-10-16(17)14(2)21-22/h3-11,13H,12H2,1-2H3,(H,20,23)
InChIKeyCJNHFNZQWSPOMX-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.58
Rot. Bonds4

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

2-(4-methyl-1-oxophthalazin-2-yl)-N-(1-phenylethyl)acetamide (PubChem CID 661228) 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-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-1-oxophthalazin-2-yl)-N-(1-phenylethyl)acetamide
PubChem CID661228
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-(4-methyl-1-oxophthalazin-2-yl)-N-(1-phenylethyl)acetamide
SMILESCc1nn(CC(=O)NC(C)c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C19H19N3O2/c1-13(15-8-4-3-5-9-15)20-18(23)12-22-19(24)17-11-7-6-10-16(17)14(2)21-22/h3-11,13H,12H2,1-2H3,(H,20,23)
InChIKeyCJNHFNZQWSPOMX-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(1-phenylethyl)acetamide (CID 661228) is 2-(4-methyl-1-oxophthalazin-2-yl)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(4-methyl-1-oxophthalazin-2-yl)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(4-methyl-1-oxophthalazin-2-yl)-N-(1-phenylethyl)acetamide is Cc1nn(CC(=O)NC(C)c2ccccc2)c(=O)c2ccccc12.
What is the InChIKey of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(1-phenylethyl)acetamide?
The InChIKey is CJNHFNZQWSPOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13(15-8-4-3-5-9-15)20-18(23)12-22-19(24)17-11-7-6-10-16(17)14(2)21-22/h3-11,13H,12H2,1-2H3,(H,20,23).
What are the key properties of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(1-phenylethyl)acetamide?
2-(4-methyl-1-oxophthalazin-2-yl)-N-(1-phenylethyl)acetamide has a molecular weight of 321.38 g/mol, XLogP of 2.58, 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-(1-phenylethyl)acetamide is sourced from PubChem (CID 661228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).