2-(1-oxophthalazin-2-yl)-N-[3-(1-phenylethoxy)propyl]acetamide

C21H23N3O3 — CID 134048724

IUPAC2-(1-oxophthalazin-2-yl)-N-[3-(1-phenylethoxy)propyl]acetamide
SMILESCC(OCCCNC(=O)Cn1ncc2ccccc2c1=O)c1ccccc1
InChIInChI=1S/C21H23N3O3/c1-16(17-8-3-2-4-9-17)27-13-7-12-22-20(25)15-24-21(26)19-11-6-5-10-18(19)14-23-24/h2-6,8-11,14,16H,7,12-13,15H2,1H3,(H,22,25)
InChIKeyGQUSHLNOKGINOR-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.68
Rot. Bonds8

About 2-(1-oxophthalazin-2-yl)-N-[3-(1-phenylethoxy)propyl]acetamide

2-(1-oxophthalazin-2-yl)-N-[3-(1-phenylethoxy)propyl]acetamide (PubChem CID 134048724) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-(1-oxophthalazin-2-yl)-N-[3-(1-phenylethoxy)propyl]acetamide.

Molecular Properties

Compound Name2-(1-oxophthalazin-2-yl)-N-[3-(1-phenylethoxy)propyl]acetamide
PubChem CID134048724
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-(1-oxophthalazin-2-yl)-N-[3-(1-phenylethoxy)propyl]acetamide
SMILESCC(OCCCNC(=O)Cn1ncc2ccccc2c1=O)c1ccccc1
InChIInChI=1S/C21H23N3O3/c1-16(17-8-3-2-4-9-17)27-13-7-12-22-20(25)15-24-21(26)19-11-6-5-10-18(19)14-23-24/h2-6,8-11,14,16H,7,12-13,15H2,1H3,(H,22,25)
InChIKeyGQUSHLNOKGINOR-UHFFFAOYSA-N
XLogP2.68
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.68
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 2-(1-oxophthalazin-2-yl)-N-[3-(1-phenylethoxy)propyl]acetamide?
The IUPAC name of 2-(1-oxophthalazin-2-yl)-N-[3-(1-phenylethoxy)propyl]acetamide (CID 134048724) is 2-(1-oxophthalazin-2-yl)-N-[3-(1-phenylethoxy)propyl]acetamide.
What is the SMILES notation for 2-(1-oxophthalazin-2-yl)-N-[3-(1-phenylethoxy)propyl]acetamide?
The canonical SMILES for 2-(1-oxophthalazin-2-yl)-N-[3-(1-phenylethoxy)propyl]acetamide is CC(OCCCNC(=O)Cn1ncc2ccccc2c1=O)c1ccccc1.
What is the InChIKey of 2-(1-oxophthalazin-2-yl)-N-[3-(1-phenylethoxy)propyl]acetamide?
The InChIKey is GQUSHLNOKGINOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-16(17-8-3-2-4-9-17)27-13-7-12-22-20(25)15-24-21(26)19-11-6-5-10-18(19)14-23-24/h2-6,8-11,14,16H,7,12-13,15H2,1H3,(H,22,25).
What are the key properties of 2-(1-oxophthalazin-2-yl)-N-[3-(1-phenylethoxy)propyl]acetamide?
2-(1-oxophthalazin-2-yl)-N-[3-(1-phenylethoxy)propyl]acetamide has a molecular weight of 365.43 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxophthalazin-2-yl)-N-[3-(1-phenylethoxy)propyl]acetamide is sourced from PubChem (CID 134048724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).