2-phthalazin-1-yloxy-N-(4-propan-2-ylphenyl)acetamide

C19H19N3O2 — CID 6409084

IUPAC2-phthalazin-1-yloxy-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)COc2nncc3ccccc23)cc1
InChIInChI=1S/C19H19N3O2/c1-13(2)14-7-9-16(10-8-14)21-18(23)12-24-19-17-6-4-3-5-15(17)11-20-22-19/h3-11,13H,12H2,1-2H3,(H,21,23)
InChIKeyKRVVIBPYWDEHPR-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.77
Rot. Bonds5

About 2-phthalazin-1-yloxy-N-(4-propan-2-ylphenyl)acetamide

2-phthalazin-1-yloxy-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 6409084) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-phthalazin-1-yloxy-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-phthalazin-1-yloxy-N-(4-propan-2-ylphenyl)acetamide
PubChem CID6409084
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-phthalazin-1-yloxy-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)COc2nncc3ccccc23)cc1
InChIInChI=1S/C19H19N3O2/c1-13(2)14-7-9-16(10-8-14)21-18(23)12-24-19-17-6-4-3-5-15(17)11-20-22-19/h3-11,13H,12H2,1-2H3,(H,21,23)
InChIKeyKRVVIBPYWDEHPR-UHFFFAOYSA-N
XLogP3.77
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-phthalazin-1-yloxy-N-(4-propan-2-ylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-phthalazin-1-yloxy-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-phthalazin-1-yloxy-N-(4-propan-2-ylphenyl)acetamide (CID 6409084) is 2-phthalazin-1-yloxy-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-phthalazin-1-yloxy-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-phthalazin-1-yloxy-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)COc2nncc3ccccc23)cc1.
What is the InChIKey of 2-phthalazin-1-yloxy-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is KRVVIBPYWDEHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13(2)14-7-9-16(10-8-14)21-18(23)12-24-19-17-6-4-3-5-15(17)11-20-22-19/h3-11,13H,12H2,1-2H3,(H,21,23).
What are the key properties of 2-phthalazin-1-yloxy-N-(4-propan-2-ylphenyl)acetamide?
2-phthalazin-1-yloxy-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 321.38 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phthalazin-1-yloxy-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 6409084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).