4-oxo-3-phenyl-N-[(2S)-2-phenylbutyl]phthalazine-1-carboxamide

C25H23N3O2 — CID 27862617

IUPAC4-oxo-3-phenyl-N-[(2S)-2-phenylbutyl]phthalazine-1-carboxamide
SMILESCC[C@H](CNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)c1ccccc1
InChIInChI=1S/C25H23N3O2/c1-2-18(19-11-5-3-6-12-19)17-26-24(29)23-21-15-9-10-16-22(21)25(30)28(27-23)20-13-7-4-8-14-20/h3-16,18H,2,17H2,1H3,(H,26,29)/t18-/m1/s1
InChIKeyAGUSRPPEMVLZSL-GOSISDBHSA-N
MW397.48 g/mol
LogP4.31
Rot. Bonds6

About 4-oxo-3-phenyl-N-[(2S)-2-phenylbutyl]phthalazine-1-carboxamide

4-oxo-3-phenyl-N-[(2S)-2-phenylbutyl]phthalazine-1-carboxamide (PubChem CID 27862617) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 4-oxo-3-phenyl-N-[(2S)-2-phenylbutyl]phthalazine-1-carboxamide.

Molecular Properties

Compound Name4-oxo-3-phenyl-N-[(2S)-2-phenylbutyl]phthalazine-1-carboxamide
PubChem CID27862617
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name4-oxo-3-phenyl-N-[(2S)-2-phenylbutyl]phthalazine-1-carboxamide
SMILESCC[C@H](CNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)c1ccccc1
InChIInChI=1S/C25H23N3O2/c1-2-18(19-11-5-3-6-12-19)17-26-24(29)23-21-15-9-10-16-22(21)25(30)28(27-23)20-13-7-4-8-14-20/h3-16,18H,2,17H2,1H3,(H,26,29)/t18-/m1/s1
InChIKeyAGUSRPPEMVLZSL-GOSISDBHSA-N
XLogP4.31
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-3-phenyl-N-(1-phenylethyl)phthalazine-1-carboxamide
CID 78583454
4-oxo-N-pentyl-3-phenylphthalazine-1-carboxamide
CID 7779349
N-(3-methylbutyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2409947
4-oxo-3-phenyl-N-(1-pyridin-4-ylethyl)phthalazine-1-carboxamide
CID 51148760
4-oxo-3-phenyl-N-[3-(1-phenylethoxy)propyl]phthalazine-1-carboxamide
CID 24583740
5-methyl-1-phenyl-N-(2-phenylbutyl)pyrazole-3-carboxamide
CID 55756841
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 8936937
4-oxo-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-3-phenylphthalazine-1-carboxamide
CID 8733517
4-oxo-N-[(2R)-2-phenylbutyl]-3H-phthalazine-1-carboxamide
CID 9406737
N-[(2-methylphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 9104456
N',N'-dimethyl-4-oxo-3-phenylphthalazine-1-carbohydrazide
CID 9163904
N-(2-phenylbutyl)-1H-indazole-3-carboxamide
CID 42888594

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3-phenyl-N-[(2S)-2-phenylbutyl]phthalazine-1-carboxamide?
The IUPAC name of 4-oxo-3-phenyl-N-[(2S)-2-phenylbutyl]phthalazine-1-carboxamide (CID 27862617) is 4-oxo-3-phenyl-N-[(2S)-2-phenylbutyl]phthalazine-1-carboxamide.
What is the SMILES notation for 4-oxo-3-phenyl-N-[(2S)-2-phenylbutyl]phthalazine-1-carboxamide?
The canonical SMILES for 4-oxo-3-phenyl-N-[(2S)-2-phenylbutyl]phthalazine-1-carboxamide is CC[C@H](CNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)c1ccccc1.
What is the InChIKey of 4-oxo-3-phenyl-N-[(2S)-2-phenylbutyl]phthalazine-1-carboxamide?
The InChIKey is AGUSRPPEMVLZSL-GOSISDBHSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-2-18(19-11-5-3-6-12-19)17-26-24(29)23-21-15-9-10-16-22(21)25(30)28(27-23)20-13-7-4-8-14-20/h3-16,18H,2,17H2,1H3,(H,26,29)/t18-/m1/s1.
What are the key properties of 4-oxo-3-phenyl-N-[(2S)-2-phenylbutyl]phthalazine-1-carboxamide?
4-oxo-3-phenyl-N-[(2S)-2-phenylbutyl]phthalazine-1-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3-phenyl-N-[(2S)-2-phenylbutyl]phthalazine-1-carboxamide is sourced from PubChem (CID 27862617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).