2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide

C17H23N3O4 — CID 32953117

IUPAC2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
SMILESCOCCN(CC(C)C)C(=O)Cn1[nH]c(=O)c2ccccc2c1=O
InChIInChI=1S/C17H23N3O4/c1-12(2)10-19(8-9-24-3)15(21)11-20-17(23)14-7-5-4-6-13(14)16(22)18-20/h4-7,12H,8-11H2,1-3H3,(H,18,22)
InChIKeyRPMGIRPDWUGKOJ-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.82
Rot. Bonds7

About 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide

2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide (PubChem CID 32953117) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
PubChem CID32953117
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
SMILESCOCCN(CC(C)C)C(=O)Cn1[nH]c(=O)c2ccccc2c1=O
InChIInChI=1S/C17H23N3O4/c1-12(2)10-19(8-9-24-3)15(21)11-20-17(23)14-7-5-4-6-13(14)16(22)18-20/h4-7,12H,8-11H2,1-3H3,(H,18,22)
InChIKeyRPMGIRPDWUGKOJ-UHFFFAOYSA-N
XLogP0.82
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide (CID 32953117) is 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide is COCCN(CC(C)C)C(=O)Cn1[nH]c(=O)c2ccccc2c1=O.
What is the InChIKey of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide?
The InChIKey is RPMGIRPDWUGKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-12(2)10-19(8-9-24-3)15(21)11-20-17(23)14-7-5-4-6-13(14)16(22)18-20/h4-7,12H,8-11H2,1-3H3,(H,18,22).
What are the key properties of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide?
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide has a molecular weight of 333.39 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 32953117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).