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

C22H19N3O2 — CID 1448431

IUPAC2-(3-methyl-4-oxophthalazin-1-yl)-N-(naphthalen-1-ylmethyl)acetamide
SMILESCn1nc(CC(=O)NCc2cccc3ccccc23)c2ccccc2c1=O
InChIInChI=1S/C22H19N3O2/c1-25-22(27)19-12-5-4-11-18(19)20(24-25)13-21(26)23-14-16-9-6-8-15-7-2-3-10-17(15)16/h2-12H,13-14H2,1H3,(H,23,26)
InChIKeyAILLLRSYOCEWGR-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.95
Rot. Bonds4

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

2-(3-methyl-4-oxophthalazin-1-yl)-N-(naphthalen-1-ylmethyl)acetamide (PubChem CID 1448431) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-(3-methyl-4-oxophthalazin-1-yl)-N-(naphthalen-1-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-4-oxophthalazin-1-yl)-N-(naphthalen-1-ylmethyl)acetamide
PubChem CID1448431
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name2-(3-methyl-4-oxophthalazin-1-yl)-N-(naphthalen-1-ylmethyl)acetamide
SMILESCn1nc(CC(=O)NCc2cccc3ccccc23)c2ccccc2c1=O
InChIInChI=1S/C22H19N3O2/c1-25-22(27)19-12-5-4-11-18(19)20(24-25)13-21(26)23-14-16-9-6-8-15-7-2-3-10-17(15)16/h2-12H,13-14H2,1H3,(H,23,26)
InChIKeyAILLLRSYOCEWGR-UHFFFAOYSA-N
XLogP2.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.95
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-(naphthalen-1-ylmethyl)acetamide?
The IUPAC name of 2-(3-methyl-4-oxophthalazin-1-yl)-N-(naphthalen-1-ylmethyl)acetamide (CID 1448431) is 2-(3-methyl-4-oxophthalazin-1-yl)-N-(naphthalen-1-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-methyl-4-oxophthalazin-1-yl)-N-(naphthalen-1-ylmethyl)acetamide?
The canonical SMILES for 2-(3-methyl-4-oxophthalazin-1-yl)-N-(naphthalen-1-ylmethyl)acetamide is Cn1nc(CC(=O)NCc2cccc3ccccc23)c2ccccc2c1=O.
What is the InChIKey of 2-(3-methyl-4-oxophthalazin-1-yl)-N-(naphthalen-1-ylmethyl)acetamide?
The InChIKey is AILLLRSYOCEWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-25-22(27)19-12-5-4-11-18(19)20(24-25)13-21(26)23-14-16-9-6-8-15-7-2-3-10-17(15)16/h2-12H,13-14H2,1H3,(H,23,26).
What are the key properties of 2-(3-methyl-4-oxophthalazin-1-yl)-N-(naphthalen-1-ylmethyl)acetamide?
2-(3-methyl-4-oxophthalazin-1-yl)-N-(naphthalen-1-ylmethyl)acetamide has a molecular weight of 357.41 g/mol, XLogP of 2.95, 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-(naphthalen-1-ylmethyl)acetamide is sourced from PubChem (CID 1448431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).