N-(3,5-dimethylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide

C21H23N3O2 — CID 3944118

IUPACN-(3,5-dimethylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2nn(CC(C)C)c(=O)c3ccccc23)c1
InChIInChI=1S/C21H23N3O2/c1-13(2)12-24-21(26)18-8-6-5-7-17(18)19(23-24)20(25)22-16-10-14(3)9-15(4)11-16/h5-11,13H,12H2,1-4H3,(H,22,25)
InChIKeyUAIRGLSRUYDPNV-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.92
Rot. Bonds4

About N-(3,5-dimethylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide

N-(3,5-dimethylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide (PubChem CID 3944118) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
PubChem CID3944118
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-(3,5-dimethylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2nn(CC(C)C)c(=O)c3ccccc23)c1
InChIInChI=1S/C21H23N3O2/c1-13(2)12-24-21(26)18-8-6-5-7-17(18)19(23-24)20(25)22-16-10-14(3)9-15(4)11-16/h5-11,13H,12H2,1-4H3,(H,22,25)
InChIKeyUAIRGLSRUYDPNV-UHFFFAOYSA-N
XLogP3.92
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-difluorophenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 134061493
3-(2-methylpropyl)-4-oxo-N-(4-phenylphenyl)phthalazine-1-carboxamide
CID 7925968
N-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 51159012
3-(2-methylpropyl)-4-oxo-N-(4-propylphenyl)phthalazine-1-carboxamide
CID 9293948
N-[4-[(2R)-butan-2-yl]phenyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 7935649
ethyl 4-[[3-(2-methylpropyl)-4-oxophthalazine-1-carbonyl]amino]benzoate
CID 7926438
N-(2-acetylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 51148476
N-(3,5-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2710143
N-(4-ethoxyphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 4815668
3-(2-methylpropyl)-4-oxo-N-(2,4,6-trimethyl-3-pyridinyl)phthalazine-1-carboxamide
CID 78859773
N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carbohydrazide
CID 9470547
3-(2-methylpropyl)-4-oxo-N-[3-(sulfamoylamino)phenyl]phthalazine-1-carboxamide
CID 55551620

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide (CID 3944118) is N-(3,5-dimethylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide is Cc1cc(C)cc(NC(=O)c2nn(CC(C)C)c(=O)c3ccccc23)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide?
The InChIKey is UAIRGLSRUYDPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-13(2)12-24-21(26)18-8-6-5-7-17(18)19(23-24)20(25)22-16-10-14(3)9-15(4)11-16/h5-11,13H,12H2,1-4H3,(H,22,25).
What are the key properties of N-(3,5-dimethylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide?
N-(3,5-dimethylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 3944118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).