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

C24H21N3O3 — CID 118720150

IUPAC2-(4-benzyl-1-oxophthalazin-2-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nc(Cc3ccccc3)c3ccccc3c2=O)cc1
InChIInChI=1S/C24H21N3O3/c1-30-19-13-11-18(12-14-19)25-23(28)16-27-24(29)21-10-6-5-9-20(21)22(26-27)15-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3,(H,25,28)
InChIKeyPVUBAILMIHXKMQ-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.63
Rot. Bonds6

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

2-(4-benzyl-1-oxophthalazin-2-yl)-N-(4-methoxyphenyl)acetamide (PubChem CID 118720150) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-(4-benzyl-1-oxophthalazin-2-yl)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzyl-1-oxophthalazin-2-yl)-N-(4-methoxyphenyl)acetamide
PubChem CID118720150
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name2-(4-benzyl-1-oxophthalazin-2-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nc(Cc3ccccc3)c3ccccc3c2=O)cc1
InChIInChI=1S/C24H21N3O3/c1-30-19-13-11-18(12-14-19)25-23(28)16-27-24(29)21-10-6-5-9-20(21)22(26-27)15-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3,(H,25,28)
InChIKeyPVUBAILMIHXKMQ-UHFFFAOYSA-N
XLogP3.63
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.63
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-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-benzyl-1-oxophthalazin-2-yl)-N-(4-methoxyphenyl)acetamide (CID 118720150) is 2-(4-benzyl-1-oxophthalazin-2-yl)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-benzyl-1-oxophthalazin-2-yl)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-benzyl-1-oxophthalazin-2-yl)-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2nc(Cc3ccccc3)c3ccccc3c2=O)cc1.
What is the InChIKey of 2-(4-benzyl-1-oxophthalazin-2-yl)-N-(4-methoxyphenyl)acetamide?
The InChIKey is PVUBAILMIHXKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-30-19-13-11-18(12-14-19)25-23(28)16-27-24(29)21-10-6-5-9-20(21)22(26-27)15-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3,(H,25,28).
What are the key properties of 2-(4-benzyl-1-oxophthalazin-2-yl)-N-(4-methoxyphenyl)acetamide?
2-(4-benzyl-1-oxophthalazin-2-yl)-N-(4-methoxyphenyl)acetamide has a molecular weight of 399.45 g/mol, XLogP of 3.63, 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-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 118720150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).