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

C18H17N3O3 — CID 758936

IUPACN-(4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1
InChIInChI=1S/C18H17N3O3/c1-21-18(23)15-6-4-3-5-14(15)16(20-21)11-17(22)19-12-7-9-13(24-2)10-8-12/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyOLBJIULZJKWFBM-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.12
Rot. Bonds4

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

N-(4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 758936) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID758936
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-(4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1
InChIInChI=1S/C18H17N3O3/c1-21-18(23)15-6-4-3-5-14(15)16(20-21)11-17(22)19-12-7-9-13(24-2)10-8-12/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyOLBJIULZJKWFBM-UHFFFAOYSA-N
XLogP2.12
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 758936) is N-(4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is COc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is OLBJIULZJKWFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-21-18(23)15-6-4-3-5-14(15)16(20-21)11-17(22)19-12-7-9-13(24-2)10-8-12/h3-10H,11H2,1-2H3,(H,19,22).
What are the key properties of N-(4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-(4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 323.35 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 758936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).