(1-oxo-1-phenylpropan-2-yl) 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate

C19H16N2O5 — CID 24685958

IUPAC(1-oxo-1-phenylpropan-2-yl) 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
SMILESCC(OC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)C(=O)c1ccccc1
InChIInChI=1S/C19H16N2O5/c1-12(17(23)13-7-3-2-4-8-13)26-16(22)11-21-19(25)15-10-6-5-9-14(15)18(24)20-21/h2-10,12H,11H2,1H3,(H,20,24)
InChIKeyONKULJNJCOXUIN-UHFFFAOYSA-N
MW352.35 g/mol
LogP1.50
Rot. Bonds5

About (1-oxo-1-phenylpropan-2-yl) 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate

(1-oxo-1-phenylpropan-2-yl) 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate (PubChem CID 24685958) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is (1-oxo-1-phenylpropan-2-yl) 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate.

Molecular Properties

Compound Name(1-oxo-1-phenylpropan-2-yl) 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
PubChem CID24685958
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name(1-oxo-1-phenylpropan-2-yl) 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
SMILESCC(OC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)C(=O)c1ccccc1
InChIInChI=1S/C19H16N2O5/c1-12(17(23)13-7-3-2-4-8-13)26-16(22)11-21-19(25)15-10-6-5-9-14(15)18(24)20-21/h2-10,12H,11H2,1H3,(H,20,24)
InChIKeyONKULJNJCOXUIN-UHFFFAOYSA-N
XLogP1.50
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(propan-2-ylamino)ethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 2083275
[2-(3,4-difluorophenyl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 2415389
(2-Oxocyclohexyl) 2-[(2-methylbenzoyl)amino]acetate
CID 24981310
3-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2H-phthalazine-1,4-dione
CID 651118
hexyl 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoate
CID 660956
octyl 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoate
CID 1904145
[2-(4-bromophenyl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 18280384
[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 24685984
[1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 24819829
1-[(1-Cyanocyclohexyl)carbamoyl]ethyl 2-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-2-yl)acetate
CID 24980443
[2-(2-chlorophenyl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 24981949
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 7225982

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-phenylpropan-2-yl) 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate?
The IUPAC name of (1-oxo-1-phenylpropan-2-yl) 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate (CID 24685958) is (1-oxo-1-phenylpropan-2-yl) 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate.
What is the SMILES notation for (1-oxo-1-phenylpropan-2-yl) 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate?
The canonical SMILES for (1-oxo-1-phenylpropan-2-yl) 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate is CC(OC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)C(=O)c1ccccc1.
What is the InChIKey of (1-oxo-1-phenylpropan-2-yl) 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate?
The InChIKey is ONKULJNJCOXUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-12(17(23)13-7-3-2-4-8-13)26-16(22)11-21-19(25)15-10-6-5-9-14(15)18(24)20-21/h2-10,12H,11H2,1H3,(H,20,24).
What are the key properties of (1-oxo-1-phenylpropan-2-yl) 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate?
(1-oxo-1-phenylpropan-2-yl) 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate has a molecular weight of 352.35 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-phenylpropan-2-yl) 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate is sourced from PubChem (CID 24685958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).