2-phthalazin-1-yloxy-N-propan-2-ylacetamide

C13H15N3O2 — CID 6414047

IUPAC2-phthalazin-1-yloxy-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1nncc2ccccc12
InChIInChI=1S/C13H15N3O2/c1-9(2)15-12(17)8-18-13-11-6-4-3-5-10(11)7-14-16-13/h3-7,9H,8H2,1-2H3,(H,15,17)
InChIKeyJCZCEQAGFMOKMM-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.53
Rot. Bonds4

About 2-phthalazin-1-yloxy-N-propan-2-ylacetamide

2-phthalazin-1-yloxy-N-propan-2-ylacetamide (PubChem CID 6414047) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-phthalazin-1-yloxy-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-phthalazin-1-yloxy-N-propan-2-ylacetamide
PubChem CID6414047
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-phthalazin-1-yloxy-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1nncc2ccccc12
InChIInChI=1S/C13H15N3O2/c1-9(2)15-12(17)8-18-13-11-6-4-3-5-10(11)7-14-16-13/h3-7,9H,8H2,1-2H3,(H,15,17)
InChIKeyJCZCEQAGFMOKMM-UHFFFAOYSA-N
XLogP1.53
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.53
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-propan-2-ylacetamide?
The IUPAC name of 2-phthalazin-1-yloxy-N-propan-2-ylacetamide (CID 6414047) is 2-phthalazin-1-yloxy-N-propan-2-ylacetamide.
What is the SMILES notation for 2-phthalazin-1-yloxy-N-propan-2-ylacetamide?
The canonical SMILES for 2-phthalazin-1-yloxy-N-propan-2-ylacetamide is CC(C)NC(=O)COc1nncc2ccccc12.
What is the InChIKey of 2-phthalazin-1-yloxy-N-propan-2-ylacetamide?
The InChIKey is JCZCEQAGFMOKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9(2)15-12(17)8-18-13-11-6-4-3-5-10(11)7-14-16-13/h3-7,9H,8H2,1-2H3,(H,15,17).
What are the key properties of 2-phthalazin-1-yloxy-N-propan-2-ylacetamide?
2-phthalazin-1-yloxy-N-propan-2-ylacetamide has a molecular weight of 245.28 g/mol, XLogP of 1.53, 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-propan-2-ylacetamide is sourced from PubChem (CID 6414047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).