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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Related Compounds

N-(3-hydroxypropyl)-2-(1-oxophthalazin-2-yl)acetamide
CID 110886182
N-nonyl-2-(1-oxophthalazin-2-yl)acetamide
CID 46576898
N-(2-methylpropyl)-2-(1-oxophthalazin-2-yl)acetamide
CID 9369051
1-[[2-(1-oxophthalazin-2-yl)acetyl]amino]-3-[(1R)-1-phenylethyl]thiourea
CID 2224766
N-[(2S)-butan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 9369028
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(1-phenylethoxy)propyl]acetamide
CID 86920482
4-oxo-3-pentyl-N-[3-(1-phenylethoxy)propyl]phthalazine-1-carboxamide
CID 55483560
3-methyl-2-[[2-(1-oxophthalazin-2-yl)acetyl]amino]pentanoic acid
CID 53368322
3-methyl-4-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]phthalazine-1-carboxamide
CID 33235152
3-(4-oxoquinazolin-3-yl)-N-[3-(1-phenylethoxy)propyl]propanamide
CID 46557320
N-[2-(4-chlorophenyl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 7694826
4-oxo-3-phenyl-N-[3-(1-phenylethoxy)propyl]phthalazine-1-carboxamide
CID 24583740

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).