3-methyl-4-oxo-N-(2-phenylpropyl)phthalazine-1-carboxamide

C19H19N3O2 — CID 17400170

IUPAC3-methyl-4-oxo-N-(2-phenylpropyl)phthalazine-1-carboxamide
SMILESCC(CNC(=O)c1nn(C)c(=O)c2ccccc12)c1ccccc1
InChIInChI=1S/C19H19N3O2/c1-13(14-8-4-3-5-9-14)12-20-18(23)17-15-10-6-7-11-16(15)19(24)22(2)21-17/h3-11,13H,12H2,1-2H3,(H,20,23)
InChIKeyCFURTFMSLWMMLQ-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.47
Rot. Bonds4

About 3-methyl-4-oxo-N-(2-phenylpropyl)phthalazine-1-carboxamide

3-methyl-4-oxo-N-(2-phenylpropyl)phthalazine-1-carboxamide (PubChem CID 17400170) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-methyl-4-oxo-N-(2-phenylpropyl)phthalazine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-4-oxo-N-(2-phenylpropyl)phthalazine-1-carboxamide
PubChem CID17400170
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name3-methyl-4-oxo-N-(2-phenylpropyl)phthalazine-1-carboxamide
SMILESCC(CNC(=O)c1nn(C)c(=O)c2ccccc12)c1ccccc1
InChIInChI=1S/C19H19N3O2/c1-13(14-8-4-3-5-9-14)12-20-18(23)17-15-10-6-7-11-16(15)19(24)22(2)21-17/h3-11,13H,12H2,1-2H3,(H,20,23)
InChIKeyCFURTFMSLWMMLQ-UHFFFAOYSA-N
XLogP2.47
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-oxo-N'-(3-phenylbutanoyl)phthalazine-1-carbohydrazide
CID 42908214
3-methyl-4-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]phthalazine-1-carboxamide
CID 33235152
N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 8796334
4-oxo-N-[(2R)-2-phenylpropyl]-3H-phthalazine-1-carboxamide
CID 9070861
3-methyl-4-oxo-N-[(1R)-1-(4-phenylphenyl)ethyl]phthalazine-1-carboxamide
CID 7948827
3-methyl-4-oxo-N-prop-2-enylphthalazine-1-carboxamide
CID 2449801
[(1R)-1-(4-ethylphenyl)-2-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]ethyl]-dimethylazanium
CID 8796340
[(1S)-1-(4-ethylphenyl)-2-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]ethyl]-dimethylazanium
CID 8796333
N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 8795909
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 2709525
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 55658973
3-methyl-N-[(2S)-6-methylheptan-2-yl]-4-oxophthalazine-1-carboxamide
CID 2644365

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-N-(2-phenylpropyl)phthalazine-1-carboxamide?
The IUPAC name of 3-methyl-4-oxo-N-(2-phenylpropyl)phthalazine-1-carboxamide (CID 17400170) is 3-methyl-4-oxo-N-(2-phenylpropyl)phthalazine-1-carboxamide.
What is the SMILES notation for 3-methyl-4-oxo-N-(2-phenylpropyl)phthalazine-1-carboxamide?
The canonical SMILES for 3-methyl-4-oxo-N-(2-phenylpropyl)phthalazine-1-carboxamide is CC(CNC(=O)c1nn(C)c(=O)c2ccccc12)c1ccccc1.
What is the InChIKey of 3-methyl-4-oxo-N-(2-phenylpropyl)phthalazine-1-carboxamide?
The InChIKey is CFURTFMSLWMMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13(14-8-4-3-5-9-14)12-20-18(23)17-15-10-6-7-11-16(15)19(24)22(2)21-17/h3-11,13H,12H2,1-2H3,(H,20,23).
What are the key properties of 3-methyl-4-oxo-N-(2-phenylpropyl)phthalazine-1-carboxamide?
3-methyl-4-oxo-N-(2-phenylpropyl)phthalazine-1-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-N-(2-phenylpropyl)phthalazine-1-carboxamide is sourced from PubChem (CID 17400170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).