N-(2-methoxyethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide

C19H19N3O3 — CID 3152384

IUPACN-(2-methoxyethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide
SMILESCOCCNC(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C19H19N3O3/c1-25-12-11-20-17(23)13-22-19(24)16-10-6-5-9-15(16)18(21-22)14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,20,23)
InChIKeyOIYIRVRNLHAFEO-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.83
Rot. Bonds6

About N-(2-methoxyethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide

N-(2-methoxyethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide (PubChem CID 3152384) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide
PubChem CID3152384
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-(2-methoxyethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide
SMILESCOCCNC(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C19H19N3O3/c1-25-12-11-20-17(23)13-22-19(24)16-10-6-5-9-15(16)18(21-22)14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,20,23)
InChIKeyOIYIRVRNLHAFEO-UHFFFAOYSA-N
XLogP1.83
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide (CID 3152384) is N-(2-methoxyethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide is COCCNC(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O.
What is the InChIKey of N-(2-methoxyethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide?
The InChIKey is OIYIRVRNLHAFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-25-12-11-20-17(23)13-22-19(24)16-10-6-5-9-15(16)18(21-22)14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,20,23).
What are the key properties of N-(2-methoxyethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide?
N-(2-methoxyethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide has a molecular weight of 337.38 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide is sourced from PubChem (CID 3152384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).