2-(6-cyclopropyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide

C16H19N3O2 — CID 162364321

IUPAC2-(6-cyclopropyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide
SMILESCC(C)c1nn(CC(N)=O)c(=O)c2ccc(C3CC3)cc12
InChIInChI=1S/C16H19N3O2/c1-9(2)15-13-7-11(10-3-4-10)5-6-12(13)16(21)19(18-15)8-14(17)20/h5-7,9-10H,3-4,8H2,1-2H3,(H2,17,20)
InChIKeyHNXAMELFZLRDJC-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.88
Rot. Bonds4

About 2-(6-cyclopropyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide

2-(6-cyclopropyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide (PubChem CID 162364321) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-(6-cyclopropyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-cyclopropyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide
PubChem CID162364321
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-(6-cyclopropyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide
SMILESCC(C)c1nn(CC(N)=O)c(=O)c2ccc(C3CC3)cc12
InChIInChI=1S/C16H19N3O2/c1-9(2)15-13-7-11(10-3-4-10)5-6-12(13)16(21)19(18-15)8-14(17)20/h5-7,9-10H,3-4,8H2,1-2H3,(H2,17,20)
InChIKeyHNXAMELFZLRDJC-UHFFFAOYSA-N
XLogP1.88
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-cyclopropyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide?
The IUPAC name of 2-(6-cyclopropyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide (CID 162364321) is 2-(6-cyclopropyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide.
What is the SMILES notation for 2-(6-cyclopropyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide?
The canonical SMILES for 2-(6-cyclopropyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide is CC(C)c1nn(CC(N)=O)c(=O)c2ccc(C3CC3)cc12.
What is the InChIKey of 2-(6-cyclopropyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide?
The InChIKey is HNXAMELFZLRDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-9(2)15-13-7-11(10-3-4-10)5-6-12(13)16(21)19(18-15)8-14(17)20/h5-7,9-10H,3-4,8H2,1-2H3,(H2,17,20).
What are the key properties of 2-(6-cyclopropyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide?
2-(6-cyclopropyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide has a molecular weight of 285.35 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyclopropyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide is sourced from PubChem (CID 162364321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).