2-(4-benzyl-1-oxophthalazin-2-yl)-N-(2-oxopropyl)acetamide

C20H19N3O3 — CID 155535287

IUPAC2-(4-benzyl-1-oxophthalazin-2-yl)-N-(2-oxopropyl)acetamide
SMILESCC(=O)CNC(=O)Cn1nc(Cc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C20H19N3O3/c1-14(24)12-21-19(25)13-23-20(26)17-10-6-5-9-16(17)18(22-23)11-15-7-3-2-4-8-15/h2-10H,11-13H2,1H3,(H,21,25)
InChIKeyLLCYKAQDOZCYJN-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.69
Rot. Bonds6

About 2-(4-benzyl-1-oxophthalazin-2-yl)-N-(2-oxopropyl)acetamide

2-(4-benzyl-1-oxophthalazin-2-yl)-N-(2-oxopropyl)acetamide (PubChem CID 155535287) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-(4-benzyl-1-oxophthalazin-2-yl)-N-(2-oxopropyl)acetamide.

Molecular Properties

Compound Name2-(4-benzyl-1-oxophthalazin-2-yl)-N-(2-oxopropyl)acetamide
PubChem CID155535287
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name2-(4-benzyl-1-oxophthalazin-2-yl)-N-(2-oxopropyl)acetamide
SMILESCC(=O)CNC(=O)Cn1nc(Cc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C20H19N3O3/c1-14(24)12-21-19(25)13-23-20(26)17-10-6-5-9-16(17)18(22-23)11-15-7-3-2-4-8-15/h2-10H,11-13H2,1H3,(H,21,25)
InChIKeyLLCYKAQDOZCYJN-UHFFFAOYSA-N
XLogP1.69
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-1-oxophthalazin-2-yl)-N-(2-oxopropyl)acetamide?
The IUPAC name of 2-(4-benzyl-1-oxophthalazin-2-yl)-N-(2-oxopropyl)acetamide (CID 155535287) is 2-(4-benzyl-1-oxophthalazin-2-yl)-N-(2-oxopropyl)acetamide.
What is the SMILES notation for 2-(4-benzyl-1-oxophthalazin-2-yl)-N-(2-oxopropyl)acetamide?
The canonical SMILES for 2-(4-benzyl-1-oxophthalazin-2-yl)-N-(2-oxopropyl)acetamide is CC(=O)CNC(=O)Cn1nc(Cc2ccccc2)c2ccccc2c1=O.
What is the InChIKey of 2-(4-benzyl-1-oxophthalazin-2-yl)-N-(2-oxopropyl)acetamide?
The InChIKey is LLCYKAQDOZCYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-14(24)12-21-19(25)13-23-20(26)17-10-6-5-9-16(17)18(22-23)11-15-7-3-2-4-8-15/h2-10H,11-13H2,1H3,(H,21,25).
What are the key properties of 2-(4-benzyl-1-oxophthalazin-2-yl)-N-(2-oxopropyl)acetamide?
2-(4-benzyl-1-oxophthalazin-2-yl)-N-(2-oxopropyl)acetamide has a molecular weight of 349.39 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-1-oxophthalazin-2-yl)-N-(2-oxopropyl)acetamide is sourced from PubChem (CID 155535287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).