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

C17H15N3O3 — CID 941822

IUPAC2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]acetamide
SMILESCn1nc(-c2ccc(OCC(N)=O)cc2)c2ccccc2c1=O
InChIInChI=1S/C17H15N3O3/c1-20-17(22)14-5-3-2-4-13(14)16(19-20)11-6-8-12(9-7-11)23-10-15(18)21/h2-9H,10H2,1H3,(H2,18,21)
InChIKeyXLAHCIRKLMJUQC-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.46
Rot. Bonds4

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

2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]acetamide (PubChem CID 941822) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]acetamide
PubChem CID941822
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]acetamide
SMILESCn1nc(-c2ccc(OCC(N)=O)cc2)c2ccccc2c1=O
InChIInChI=1S/C17H15N3O3/c1-20-17(22)14-5-3-2-4-13(14)16(19-20)11-6-8-12(9-7-11)23-10-15(18)21/h2-9H,10H2,1H3,(H2,18,21)
InChIKeyXLAHCIRKLMJUQC-UHFFFAOYSA-N
XLogP1.46
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.46
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]acetamide?
The IUPAC name of 2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]acetamide (CID 941822) is 2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]acetamide.
What is the SMILES notation for 2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]acetamide?
The canonical SMILES for 2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]acetamide is Cn1nc(-c2ccc(OCC(N)=O)cc2)c2ccccc2c1=O.
What is the InChIKey of 2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]acetamide?
The InChIKey is XLAHCIRKLMJUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-20-17(22)14-5-3-2-4-13(14)16(19-20)11-6-8-12(9-7-11)23-10-15(18)21/h2-9H,10H2,1H3,(H2,18,21).
What are the key properties of 2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]acetamide?
2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]acetamide has a molecular weight of 309.33 g/mol, XLogP of 1.46, 4 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]acetamide is sourced from PubChem (CID 941822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).