3-butyl-N-[4-(dimethylcarbamoyl)phenyl]-4-oxophthalazine-1-carboxamide

C22H24N4O3 — CID 8698562

IUPAC3-butyl-N-[4-(dimethylcarbamoyl)phenyl]-4-oxophthalazine-1-carboxamide
SMILESCCCCn1nc(C(=O)Nc2ccc(C(=O)N(C)C)cc2)c2ccccc2c1=O
InChIInChI=1S/C22H24N4O3/c1-4-5-14-26-22(29)18-9-7-6-8-17(18)19(24-26)20(27)23-16-12-10-15(11-13-16)21(28)25(2)3/h6-13H,4-5,14H2,1-3H3,(H,23,27)
InChIKeyYCLIDRSMWWFRLO-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.15
Rot. Bonds6

About 3-butyl-N-[4-(dimethylcarbamoyl)phenyl]-4-oxophthalazine-1-carboxamide

3-butyl-N-[4-(dimethylcarbamoyl)phenyl]-4-oxophthalazine-1-carboxamide (PubChem CID 8698562) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-butyl-N-[4-(dimethylcarbamoyl)phenyl]-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound Name3-butyl-N-[4-(dimethylcarbamoyl)phenyl]-4-oxophthalazine-1-carboxamide
PubChem CID8698562
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name3-butyl-N-[4-(dimethylcarbamoyl)phenyl]-4-oxophthalazine-1-carboxamide
SMILESCCCCn1nc(C(=O)Nc2ccc(C(=O)N(C)C)cc2)c2ccccc2c1=O
InChIInChI=1S/C22H24N4O3/c1-4-5-14-26-22(29)18-9-7-6-8-17(18)19(24-26)20(27)23-16-12-10-15(11-13-16)21(28)25(2)3/h6-13H,4-5,14H2,1-3H3,(H,23,27)
InChIKeyYCLIDRSMWWFRLO-UHFFFAOYSA-N
XLogP3.15
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(3-hexyl-4-oxophthalazine-1-carbonyl)amino]benzoate
CID 7926446
N,N-dimethyl-4-oxo-3-pentylphthalazine-1-carboxamide
CID 46652418
N-[4-(3-methylbutanoylamino)phenyl]-4-oxo-3-pentylphthalazine-1-carboxamide
CID 55548029
4-oxo-3-pentyl-N-[4-(trifluoromethoxy)phenyl]phthalazine-1-carboxamide
CID 7957140
N-[3-(dimethylamino)-3-oxopropyl]-4-oxo-3-pentylphthalazine-1-carboxamide
CID 55737255
N-[4-[[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]carbamoyl]phenyl]furan-2-carboxamide
CID 27679094
N-(3,5-dimethoxyphenyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 4805820
3-butyl-N'-(4-ethylbenzoyl)-4-oxophthalazine-1-carbohydrazide
CID 7995124
3-butyl-N'-(4-chlorobenzoyl)-4-oxophthalazine-1-carbohydrazide
CID 2532386
3-butyl-N-(4-ethoxy-3-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 39729695
N-[4-(diethylsulfamoyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide
CID 17398748
[2-(4-benzamidophenyl)-2-oxoethyl] 4-oxo-3-pentylphthalazine-1-carboxylate
CID 55378702

Frequently Asked Questions

What is the IUPAC name of 3-butyl-N-[4-(dimethylcarbamoyl)phenyl]-4-oxophthalazine-1-carboxamide?
The IUPAC name of 3-butyl-N-[4-(dimethylcarbamoyl)phenyl]-4-oxophthalazine-1-carboxamide (CID 8698562) is 3-butyl-N-[4-(dimethylcarbamoyl)phenyl]-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for 3-butyl-N-[4-(dimethylcarbamoyl)phenyl]-4-oxophthalazine-1-carboxamide?
The canonical SMILES for 3-butyl-N-[4-(dimethylcarbamoyl)phenyl]-4-oxophthalazine-1-carboxamide is CCCCn1nc(C(=O)Nc2ccc(C(=O)N(C)C)cc2)c2ccccc2c1=O.
What is the InChIKey of 3-butyl-N-[4-(dimethylcarbamoyl)phenyl]-4-oxophthalazine-1-carboxamide?
The InChIKey is YCLIDRSMWWFRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-4-5-14-26-22(29)18-9-7-6-8-17(18)19(24-26)20(27)23-16-12-10-15(11-13-16)21(28)25(2)3/h6-13H,4-5,14H2,1-3H3,(H,23,27).
What are the key properties of 3-butyl-N-[4-(dimethylcarbamoyl)phenyl]-4-oxophthalazine-1-carboxamide?
3-butyl-N-[4-(dimethylcarbamoyl)phenyl]-4-oxophthalazine-1-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-N-[4-(dimethylcarbamoyl)phenyl]-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 8698562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).