2-(3-methyl-1,4-dioxophthalazin-2-yl)-N-propan-2-ylacetamide

C14H17N3O3 — CID 126830642

IUPAC2-(3-methyl-1,4-dioxophthalazin-2-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(=O)c2ccccc2c(=O)n1C
InChIInChI=1S/C14H17N3O3/c1-9(2)15-12(18)8-17-14(20)11-7-5-4-6-10(11)13(19)16(17)3/h4-7,9H,8H2,1-3H3,(H,15,18)
InChIKeyOUSBNGAIFRKWIS-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.22
Rot. Bonds3

About 2-(3-methyl-1,4-dioxophthalazin-2-yl)-N-propan-2-ylacetamide

2-(3-methyl-1,4-dioxophthalazin-2-yl)-N-propan-2-ylacetamide (PubChem CID 126830642) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(3-methyl-1,4-dioxophthalazin-2-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-methyl-1,4-dioxophthalazin-2-yl)-N-propan-2-ylacetamide
PubChem CID126830642
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-(3-methyl-1,4-dioxophthalazin-2-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(=O)c2ccccc2c(=O)n1C
InChIInChI=1S/C14H17N3O3/c1-9(2)15-12(18)8-17-14(20)11-7-5-4-6-10(11)13(19)16(17)3/h4-7,9H,8H2,1-3H3,(H,15,18)
InChIKeyOUSBNGAIFRKWIS-UHFFFAOYSA-N
XLogP0.22
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,4-dioxophthalazin-2-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-methyl-1,4-dioxophthalazin-2-yl)-N-propan-2-ylacetamide (CID 126830642) is 2-(3-methyl-1,4-dioxophthalazin-2-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-methyl-1,4-dioxophthalazin-2-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-methyl-1,4-dioxophthalazin-2-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1c(=O)c2ccccc2c(=O)n1C.
What is the InChIKey of 2-(3-methyl-1,4-dioxophthalazin-2-yl)-N-propan-2-ylacetamide?
The InChIKey is OUSBNGAIFRKWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9(2)15-12(18)8-17-14(20)11-7-5-4-6-10(11)13(19)16(17)3/h4-7,9H,8H2,1-3H3,(H,15,18).
What are the key properties of 2-(3-methyl-1,4-dioxophthalazin-2-yl)-N-propan-2-ylacetamide?
2-(3-methyl-1,4-dioxophthalazin-2-yl)-N-propan-2-ylacetamide has a molecular weight of 275.31 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,4-dioxophthalazin-2-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 126830642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).