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

C24H21N3O3 — CID 2014617

IUPAC2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(-c3nn(C)c(=O)c4ccccc34)cc2)cc1
InChIInChI=1S/C24H21N3O3/c1-16-7-11-18(12-8-16)25-22(28)15-30-19-13-9-17(10-14-19)23-20-5-3-4-6-21(20)24(29)27(2)26-23/h3-14H,15H2,1-2H3,(H,25,28)
InChIKeyJGKIKMOQVFURJD-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.93
Rot. Bonds5

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

2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-(4-methylphenyl)acetamide (PubChem CID 2014617) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-(4-methylphenyl)acetamide
PubChem CID2014617
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(-c3nn(C)c(=O)c4ccccc34)cc2)cc1
InChIInChI=1S/C24H21N3O3/c1-16-7-11-18(12-8-16)25-22(28)15-30-19-13-9-17(10-14-19)23-20-5-3-4-6-21(20)24(29)27(2)26-23/h3-14H,15H2,1-2H3,(H,25,28)
InChIKeyJGKIKMOQVFURJD-UHFFFAOYSA-N
XLogP3.93
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-(4-methylphenyl)acetamide (CID 2014617) is 2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)COc2ccc(-c3nn(C)c(=O)c4ccccc34)cc2)cc1.
What is the InChIKey of 2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-(4-methylphenyl)acetamide?
The InChIKey is JGKIKMOQVFURJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-16-7-11-18(12-8-16)25-22(28)15-30-19-13-9-17(10-14-19)23-20-5-3-4-6-21(20)24(29)27(2)26-23/h3-14H,15H2,1-2H3,(H,25,28).
What are the key properties of 2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-(4-methylphenyl)acetamide?
2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-(4-methylphenyl)acetamide has a molecular weight of 399.45 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 2014617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).