N-[(1R,2R)-2-methylcyclohexyl]-4-oxo-3-phenylphthalazine-1-carboxamide

C22H23N3O2 — CID 2107436

IUPACN-[(1R,2R)-2-methylcyclohexyl]-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C22H23N3O2/c1-15-9-5-8-14-19(15)23-21(26)20-17-12-6-7-13-18(17)22(27)25(24-20)16-10-3-2-4-11-16/h2-4,6-7,10-13,15,19H,5,8-9,14H2,1H3,(H,23,26)/t15-,19-/m1/s1
InChIKeyZKEPORVIFDOTNR-DNVCBOLYSA-N
MW361.44 g/mol
LogP3.69
Rot. Bonds3

About N-[(1R,2R)-2-methylcyclohexyl]-4-oxo-3-phenylphthalazine-1-carboxamide

N-[(1R,2R)-2-methylcyclohexyl]-4-oxo-3-phenylphthalazine-1-carboxamide (PubChem CID 2107436) has the molecular formula C22H23N3O2 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-[(1R,2R)-2-methylcyclohexyl]-4-oxo-3-phenylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methylcyclohexyl]-4-oxo-3-phenylphthalazine-1-carboxamide
PubChem CID2107436
Molecular FormulaC22H23N3O2
Molecular Weight361.44 g/mol
Exact Mass361.18
IUPAC NameN-[(1R,2R)-2-methylcyclohexyl]-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C22H23N3O2/c1-15-9-5-8-14-19(15)23-21(26)20-17-12-6-7-13-18(17)22(27)25(24-20)16-10-3-2-4-11-16/h2-4,6-7,10-13,15,19H,5,8-9,14H2,1H3,(H,23,26)/t15-,19-/m1/s1
InChIKeyZKEPORVIFDOTNR-DNVCBOLYSA-N
XLogP3.69
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R,2R)-2-methylcyclohexyl]-4-oxo-3-phenylphthalazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-3-(3-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 92698566
N'-(3-cyclopentylpropanoyl)-4-oxo-3-phenylphthalazine-1-carbohydrazide
CID 9219996
4-oxo-3-phenyl-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide
CID 9264776
3-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2365892
3-benzyl-N-(2,3-dimethylcyclohexyl)-4-oxophthalazine-1-carboxamide
CID 46539807
N',N'-dimethyl-4-oxo-3-phenylphthalazine-1-carbohydrazide
CID 9163904
3-cyclopropyl-N-(2-methylcyclohexyl)-1-phenylpyrazole-5-carboxamide
CID 43024528
N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 9472874
N-[(2R)-oxan-2-yl]oxy-4-oxo-3-phenylphthalazine-1-carboxamide
CID 52536335
N-[(1S,2R)-2-methylcyclopentyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 95386223
2-methyl-N-(2-methylcyclohexyl)-1-oxoisoquinoline-4-carboxamide
CID 4288589
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 41232811

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methylcyclohexyl]-4-oxo-3-phenylphthalazine-1-carboxamide?
The IUPAC name of N-[(1R,2R)-2-methylcyclohexyl]-4-oxo-3-phenylphthalazine-1-carboxamide (CID 2107436) is N-[(1R,2R)-2-methylcyclohexyl]-4-oxo-3-phenylphthalazine-1-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-methylcyclohexyl]-4-oxo-3-phenylphthalazine-1-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-methylcyclohexyl]-4-oxo-3-phenylphthalazine-1-carboxamide is C[C@@H]1CCCC[C@H]1NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12.
What is the InChIKey of N-[(1R,2R)-2-methylcyclohexyl]-4-oxo-3-phenylphthalazine-1-carboxamide?
The InChIKey is ZKEPORVIFDOTNR-DNVCBOLYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15-9-5-8-14-19(15)23-21(26)20-17-12-6-7-13-18(17)22(27)25(24-20)16-10-3-2-4-11-16/h2-4,6-7,10-13,15,19H,5,8-9,14H2,1H3,(H,23,26)/t15-,19-/m1/s1.
What are the key properties of N-[(1R,2R)-2-methylcyclohexyl]-4-oxo-3-phenylphthalazine-1-carboxamide?
N-[(1R,2R)-2-methylcyclohexyl]-4-oxo-3-phenylphthalazine-1-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methylcyclohexyl]-4-oxo-3-phenylphthalazine-1-carboxamide is sourced from PubChem (CID 2107436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).