N-[(2R)-oxan-2-yl]oxy-4-oxo-3-phenylphthalazine-1-carboxamide

C20H19N3O4 — CID 52536335

IUPACN-[(2R)-oxan-2-yl]oxy-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESO=C(NO[C@@H]1CCCCO1)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C20H19N3O4/c24-19(22-27-17-12-6-7-13-26-17)18-15-10-4-5-11-16(15)20(25)23(21-18)14-8-2-1-3-9-14/h1-5,8-11,17H,6-7,12-13H2,(H,22,24)/t17-/m1/s1
InChIKeyZSPAVPJNVWRCMX-QGZVFWFLSA-N
MW365.39 g/mol
LogP2.57
Rot. Bonds4

About N-[(2R)-oxan-2-yl]oxy-4-oxo-3-phenylphthalazine-1-carboxamide

N-[(2R)-oxan-2-yl]oxy-4-oxo-3-phenylphthalazine-1-carboxamide (PubChem CID 52536335) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[(2R)-oxan-2-yl]oxy-4-oxo-3-phenylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-oxan-2-yl]oxy-4-oxo-3-phenylphthalazine-1-carboxamide
PubChem CID52536335
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC NameN-[(2R)-oxan-2-yl]oxy-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESO=C(NO[C@@H]1CCCCO1)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C20H19N3O4/c24-19(22-27-17-12-6-7-13-26-17)18-15-10-4-5-11-16(15)20(25)23(21-18)14-8-2-1-3-9-14/h1-5,8-11,17H,6-7,12-13H2,(H,22,24)/t17-/m1/s1
InChIKeyZSPAVPJNVWRCMX-QGZVFWFLSA-N
XLogP2.57
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(2R)-oxan-2-yl]oxy-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

3-[3-(4-fluorophenyl)-4-oxophthalazin-1-yl]-N-(oxan-2-yloxy)benzamide
CID 155346285
N-[(1R,2R)-2-methylcyclohexyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2107436
N'-(3-cyclopentylpropanoyl)-4-oxo-3-phenylphthalazine-1-carbohydrazide
CID 9219996
[2-(cyclohexylmethylamino)-2-oxoethyl] 4-oxo-3-phenylphthalazine-1-carboxylate
CID 2588400
N',N'-dimethyl-4-oxo-3-phenylphthalazine-1-carbohydrazide
CID 9163904
5-cyclopropyl-N-[(2R)-oxan-2-yl]oxy-2-phenyl-1,3-oxazole-4-carboxamide
CID 99621538
N-(2-hydroxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 39949913
N'-(4-methylbenzoyl)-4-oxo-3-phenylphthalazine-1-carbohydrazide
CID 2483637
4-(azetidine-1-carbonyl)-2-phenylphthalazin-1-one
CID 24503340
N-(4-tert-butylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 7914088
N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 9472874
1-(4-oxo-3-phenylphthalazine-1-carbonyl)pyrrolidine-2-carboxamide
CID 42897417

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-oxan-2-yl]oxy-4-oxo-3-phenylphthalazine-1-carboxamide?
The IUPAC name of N-[(2R)-oxan-2-yl]oxy-4-oxo-3-phenylphthalazine-1-carboxamide (CID 52536335) is N-[(2R)-oxan-2-yl]oxy-4-oxo-3-phenylphthalazine-1-carboxamide.
What is the SMILES notation for N-[(2R)-oxan-2-yl]oxy-4-oxo-3-phenylphthalazine-1-carboxamide?
The canonical SMILES for N-[(2R)-oxan-2-yl]oxy-4-oxo-3-phenylphthalazine-1-carboxamide is O=C(NO[C@@H]1CCCCO1)c1nn(-c2ccccc2)c(=O)c2ccccc12.
What is the InChIKey of N-[(2R)-oxan-2-yl]oxy-4-oxo-3-phenylphthalazine-1-carboxamide?
The InChIKey is ZSPAVPJNVWRCMX-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H19N3O4/c24-19(22-27-17-12-6-7-13-26-17)18-15-10-4-5-11-16(15)20(25)23(21-18)14-8-2-1-3-9-14/h1-5,8-11,17H,6-7,12-13H2,(H,22,24)/t17-/m1/s1.
What are the key properties of N-[(2R)-oxan-2-yl]oxy-4-oxo-3-phenylphthalazine-1-carboxamide?
N-[(2R)-oxan-2-yl]oxy-4-oxo-3-phenylphthalazine-1-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-oxan-2-yl]oxy-4-oxo-3-phenylphthalazine-1-carboxamide is sourced from PubChem (CID 52536335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).