2-phthalazin-1-yloxy-N-(2,4,6-trimethylphenyl)acetamide

C19H19N3O2 — CID 6407570

IUPAC2-phthalazin-1-yloxy-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)COc2nncc3ccccc23)c(C)c1
InChIInChI=1S/C19H19N3O2/c1-12-8-13(2)18(14(3)9-12)21-17(23)11-24-19-16-7-5-4-6-15(16)10-20-22-19/h4-10H,11H2,1-3H3,(H,21,23)
InChIKeyWZVGQLZUIOAMNS-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.57
Rot. Bonds4

About 2-phthalazin-1-yloxy-N-(2,4,6-trimethylphenyl)acetamide

2-phthalazin-1-yloxy-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 6407570) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-phthalazin-1-yloxy-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-phthalazin-1-yloxy-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID6407570
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-phthalazin-1-yloxy-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)COc2nncc3ccccc23)c(C)c1
InChIInChI=1S/C19H19N3O2/c1-12-8-13(2)18(14(3)9-12)21-17(23)11-24-19-16-7-5-4-6-15(16)10-20-22-19/h4-10H,11H2,1-3H3,(H,21,23)
InChIKeyWZVGQLZUIOAMNS-UHFFFAOYSA-N
XLogP3.57
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phthalazin-1-yloxy-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-phthalazin-1-yloxy-N-(2,4,6-trimethylphenyl)acetamide (CID 6407570) is 2-phthalazin-1-yloxy-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-phthalazin-1-yloxy-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-phthalazin-1-yloxy-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)COc2nncc3ccccc23)c(C)c1.
What is the InChIKey of 2-phthalazin-1-yloxy-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is WZVGQLZUIOAMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12-8-13(2)18(14(3)9-12)21-17(23)11-24-19-16-7-5-4-6-15(16)10-20-22-19/h4-10H,11H2,1-3H3,(H,21,23).
What are the key properties of 2-phthalazin-1-yloxy-N-(2,4,6-trimethylphenyl)acetamide?
2-phthalazin-1-yloxy-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 321.38 g/mol, XLogP of 3.57, 4 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-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 6407570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).