N-(1,4-dioxaspiro[4.4]nonan-9-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide

C17H19N3O4 — CID 166252926

IUPACN-(1,4-dioxaspiro[4.4]nonan-9-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)NC1CCCC12OCCO2
InChIInChI=1S/C17H19N3O4/c21-15(18-14-6-3-7-17(14)23-8-9-24-17)10-13-11-4-1-2-5-12(11)16(22)20-19-13/h1-2,4-5,14H,3,6-10H2,(H,18,21)(H,20,22)
InChIKeyRYMYBYVVBSQILD-UHFFFAOYSA-N
MW329.36 g/mol
LogP0.88
Rot. Bonds3

About N-(1,4-dioxaspiro[4.4]nonan-9-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide

N-(1,4-dioxaspiro[4.4]nonan-9-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 166252926) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.4]nonan-9-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.4]nonan-9-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID166252926
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN-(1,4-dioxaspiro[4.4]nonan-9-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)NC1CCCC12OCCO2
InChIInChI=1S/C17H19N3O4/c21-15(18-14-6-3-7-17(14)23-8-9-24-17)10-13-11-4-1-2-5-12(11)16(22)20-19-13/h1-2,4-5,14H,3,6-10H2,(H,18,21)(H,20,22)
InChIKeyRYMYBYVVBSQILD-UHFFFAOYSA-N
XLogP0.88
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4R)-2,2-dimethyloxan-4-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 52902429
N-(dicyclopropylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 36573611
2-(4-oxo-3H-phthalazin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 41288243
1-cyclopentyl-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea
CID 110749123
N-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 40918158
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7251543
2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide
CID 17394362
N-(furan-3-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 171679416
N-(4-cyclopentylsulfonylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 46547828
N-naphthalen-1-yl-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17403437
2-(4-oxo-3H-phthalazin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)acetamide
CID 166198338
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7251351

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.4]nonan-9-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-(1,4-dioxaspiro[4.4]nonan-9-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 166252926) is N-(1,4-dioxaspiro[4.4]nonan-9-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.4]nonan-9-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.4]nonan-9-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide is O=C(Cc1n[nH]c(=O)c2ccccc12)NC1CCCC12OCCO2.
What is the InChIKey of N-(1,4-dioxaspiro[4.4]nonan-9-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is RYMYBYVVBSQILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c21-15(18-14-6-3-7-17(14)23-8-9-24-17)10-13-11-4-1-2-5-12(11)16(22)20-19-13/h1-2,4-5,14H,3,6-10H2,(H,18,21)(H,20,22).
What are the key properties of N-(1,4-dioxaspiro[4.4]nonan-9-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-(1,4-dioxaspiro[4.4]nonan-9-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 329.36 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.4]nonan-9-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 166252926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).