3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-propylpropanamide

C21H23N3O2 — CID 2024185

IUPAC3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-propylpropanamide
SMILESCCCNC(=O)CCn1nc(-c2ccc(C)cc2)c2ccccc2c1=O
InChIInChI=1S/C21H23N3O2/c1-3-13-22-19(25)12-14-24-21(26)18-7-5-4-6-17(18)20(23-24)16-10-8-15(2)9-11-16/h4-11H,3,12-14H2,1-2H3,(H,22,25)
InChIKeyJGRWENMJFMUFHE-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.29
Rot. Bonds6

About 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-propylpropanamide

3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-propylpropanamide (PubChem CID 2024185) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-propylpropanamide.

Molecular Properties

Compound Name3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-propylpropanamide
PubChem CID2024185
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-propylpropanamide
SMILESCCCNC(=O)CCn1nc(-c2ccc(C)cc2)c2ccccc2c1=O
InChIInChI=1S/C21H23N3O2/c1-3-13-22-19(25)12-14-24-21(26)18-7-5-4-6-17(18)20(23-24)16-10-8-15(2)9-11-16/h4-11H,3,12-14H2,1-2H3,(H,22,25)
InChIKeyJGRWENMJFMUFHE-UHFFFAOYSA-N
XLogP3.29
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanoate
CID 895376
N-benzyl-3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propanamide
CID 1287300
N-naphthalen-1-yl-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide
CID 1085033
3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-naphthalen-1-ylpropanamide
CID 3846453
4-(4-methylphenyl)-2-phenacylphthalazin-1-one
CID 22333322
2-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-(4-methylphenyl)phthalazin-1-one
CID 2001510
2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(4-methylphenyl)acetamide
CID 23854431
N-(3,4-dichlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 1417632
N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)-3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanamide
CID 4893629
N-(3-chlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 1385157
3-benzyl-4-oxo-N-[3-oxo-3-(propylamino)propyl]phthalazine-1-carboxamide
CID 55954463
2-[[ethyl(2-methylprop-2-enyl)amino]methyl]-4-(4-methylphenyl)phthalazin-1-one
CID 36698797

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-propylpropanamide?
The IUPAC name of 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-propylpropanamide (CID 2024185) is 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-propylpropanamide.
What is the SMILES notation for 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-propylpropanamide?
The canonical SMILES for 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-propylpropanamide is CCCNC(=O)CCn1nc(-c2ccc(C)cc2)c2ccccc2c1=O.
What is the InChIKey of 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-propylpropanamide?
The InChIKey is JGRWENMJFMUFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-3-13-22-19(25)12-14-24-21(26)18-7-5-4-6-17(18)20(23-24)16-10-8-15(2)9-11-16/h4-11H,3,12-14H2,1-2H3,(H,22,25).
What are the key properties of 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-propylpropanamide?
3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-propylpropanamide has a molecular weight of 349.43 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-propylpropanamide is sourced from PubChem (CID 2024185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).