N-[2-[(2R)-butan-2-yl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide

C20H21N3O2 — CID 2670711

IUPACN-[2-[(2R)-butan-2-yl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)c1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C20H21N3O2/c1-4-13(2)14-9-7-8-12-17(14)21-19(24)18-15-10-5-6-11-16(15)20(25)23(3)22-18/h5-13H,4H2,1-3H3,(H,21,24)/t13-/m1/s1
InChIKeyKRRNTKUGRBKSRH-CYBMUJFWSA-N
MW335.41 g/mol
LogP3.70
Rot. Bonds4

About N-[2-[(2R)-butan-2-yl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide

N-[2-[(2R)-butan-2-yl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide (PubChem CID 2670711) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[2-[(2R)-butan-2-yl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(2R)-butan-2-yl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide
PubChem CID2670711
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[2-[(2R)-butan-2-yl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)c1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C20H21N3O2/c1-4-13(2)14-9-7-8-12-17(14)21-19(24)18-15-10-5-6-11-16(15)20(25)23(3)22-18/h5-13H,4H2,1-3H3,(H,21,24)/t13-/m1/s1
InChIKeyKRRNTKUGRBKSRH-CYBMUJFWSA-N
XLogP3.70
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-oxo-N-(2-propan-2-ylphenyl)phthalazine-1-carboxamide
CID 2678485
[(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 7352355
N-(2-butan-2-ylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 16604825
N-(2-ethoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2591019
N-(2-acetylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 7948525
3-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]phthalazine-1-carboxamide
CID 18075195
methyl 2-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]benzoate
CID 4812601
3-methyl-4-oxo-N-(2-phenylpropyl)phthalazine-1-carboxamide
CID 17400170
N-(2,4-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2704863
N-[2-[(2R)-butan-2-yl]phenyl]benzamide
CID 849169
N-(2-butan-2-ylphenyl)-4-chloro-1-methylpyrazole-5-carboxamide
CID 6468411
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-butan-2-yl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-[2-[(2R)-butan-2-yl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide (CID 2670711) is N-[2-[(2R)-butan-2-yl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-[2-[(2R)-butan-2-yl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-[2-[(2R)-butan-2-yl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide is CC[C@@H](C)c1ccccc1NC(=O)c1nn(C)c(=O)c2ccccc12.
What is the InChIKey of N-[2-[(2R)-butan-2-yl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The InChIKey is KRRNTKUGRBKSRH-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-4-13(2)14-9-7-8-12-17(14)21-19(24)18-15-10-5-6-11-16(15)20(25)23(3)22-18/h5-13H,4H2,1-3H3,(H,21,24)/t13-/m1/s1.
What are the key properties of N-[2-[(2R)-butan-2-yl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide?
N-[2-[(2R)-butan-2-yl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-butan-2-yl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 2670711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).