3-cyclopentyl-N-(4-oxo-3H-phthalazin-6-yl)propanamide

C16H19N3O2 — CID 141062047

IUPAC3-cyclopentyl-N-(4-oxo-3H-phthalazin-6-yl)propanamide
SMILESO=C(CCC1CCCC1)Nc1ccc2cn[nH]c(=O)c2c1
InChIInChI=1S/C16H19N3O2/c20-15(8-5-11-3-1-2-4-11)18-13-7-6-12-10-17-19-16(21)14(12)9-13/h6-7,9-11H,1-5,8H2,(H,18,20)(H,19,21)
InChIKeyOAXLKFBYSUHLSF-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.83
Rot. Bonds4

About 3-cyclopentyl-N-(4-oxo-3H-phthalazin-6-yl)propanamide

3-cyclopentyl-N-(4-oxo-3H-phthalazin-6-yl)propanamide (PubChem CID 141062047) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-cyclopentyl-N-(4-oxo-3H-phthalazin-6-yl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(4-oxo-3H-phthalazin-6-yl)propanamide
PubChem CID141062047
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-cyclopentyl-N-(4-oxo-3H-phthalazin-6-yl)propanamide
SMILESO=C(CCC1CCCC1)Nc1ccc2cn[nH]c(=O)c2c1
InChIInChI=1S/C16H19N3O2/c20-15(8-5-11-3-1-2-4-11)18-13-7-6-12-10-17-19-16(21)14(12)9-13/h6-7,9-11H,1-5,8H2,(H,18,20)(H,19,21)
InChIKeyOAXLKFBYSUHLSF-UHFFFAOYSA-N
XLogP2.83
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-N-[1-(3,3-dimethylbutyl)-4-oxo-3H-phthalazin-6-yl]propanamide
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3-cyclopentyl-N-(4-methoxyphenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(4-oxo-3H-phthalazin-6-yl)propanamide?
The IUPAC name of 3-cyclopentyl-N-(4-oxo-3H-phthalazin-6-yl)propanamide (CID 141062047) is 3-cyclopentyl-N-(4-oxo-3H-phthalazin-6-yl)propanamide.
What is the SMILES notation for 3-cyclopentyl-N-(4-oxo-3H-phthalazin-6-yl)propanamide?
The canonical SMILES for 3-cyclopentyl-N-(4-oxo-3H-phthalazin-6-yl)propanamide is O=C(CCC1CCCC1)Nc1ccc2cn[nH]c(=O)c2c1.
What is the InChIKey of 3-cyclopentyl-N-(4-oxo-3H-phthalazin-6-yl)propanamide?
The InChIKey is OAXLKFBYSUHLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-15(8-5-11-3-1-2-4-11)18-13-7-6-12-10-17-19-16(21)14(12)9-13/h6-7,9-11H,1-5,8H2,(H,18,20)(H,19,21).
What are the key properties of 3-cyclopentyl-N-(4-oxo-3H-phthalazin-6-yl)propanamide?
3-cyclopentyl-N-(4-oxo-3H-phthalazin-6-yl)propanamide has a molecular weight of 285.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(4-oxo-3H-phthalazin-6-yl)propanamide is sourced from PubChem (CID 141062047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).