4-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-4-phenylbutan-2-one

C24H25N2O2P — CID 134262757

IUPAC4-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-4-phenylbutan-2-one
SMILESCC(=O)CC(c1ccccc1)P1(=O)N(c2ccccc2)CCN1c1ccccc1
InChIInChI=1S/C24H25N2O2P/c1-20(27)19-24(21-11-5-2-6-12-21)29(28)25(22-13-7-3-8-14-22)17-18-26(29)23-15-9-4-10-16-23/h2-16,24H,17-19H2,1H3
InChIKeyDGPVCIOVKFSKNG-UHFFFAOYSA-N
MW404.45 g/mol
LogP5.93
Rot. Bonds6

About 4-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-4-phenylbutan-2-one

4-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-4-phenylbutan-2-one (PubChem CID 134262757) has the molecular formula C24H25N2O2P and a molecular weight of 404.45 g/mol. Its IUPAC name is 4-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-4-phenylbutan-2-one.

Molecular Properties

Compound Name4-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-4-phenylbutan-2-one
PubChem CID134262757
Molecular FormulaC24H25N2O2P
Molecular Weight404.45 g/mol
Exact Mass404.17
IUPAC Name4-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-4-phenylbutan-2-one
SMILESCC(=O)CC(c1ccccc1)P1(=O)N(c2ccccc2)CCN1c1ccccc1
InChIInChI=1S/C24H25N2O2P/c1-20(27)19-24(21-11-5-2-6-12-21)29(28)25(22-13-7-3-8-14-22)17-18-26(29)23-15-9-4-10-16-23/h2-16,24H,17-19H2,1H3
InChIKeyDGPVCIOVKFSKNG-UHFFFAOYSA-N
XLogP5.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.45
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 4-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-4-phenylbutan-2-one 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

(4S)-4-hydroxy-4-phenylbutan-2-one
CID 10888260
(4S)-4-bromo-4-phenylbutan-2-one
CID 155045363
ethyl 3-methyl-4-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)pent-4-enoate
CID 134471199
2-[(2-methylpiperidin-1-yl)-phenylmethyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide
CID 130439072
4-phenyl-4-phosphanylbutan-2-one
CID 175348302
2-(1-nitrobutan-2-yl)-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide
CID 158241216
(4S,5S)-4-methyl-5-phenylhexan-2-one
CID 102392446
(4R)-5-fluoro-4-phenylpentan-2-one
CID 101477163
ethyl (E)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)but-2-enoate
CID 134471325
4-phenyl-4-(2,4,6-trimethylphenyl)butan-2-one
CID 102313835
4-[(4-methoxyphenyl)-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)methyl]-1,4-thiazinane 1,1-dioxide
CID 130445023
4-(2,3-dihydroindol-1-yl)-4-phenylbutan-2-one
CID 82133752

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-4-phenylbutan-2-one?
The IUPAC name of 4-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-4-phenylbutan-2-one (CID 134262757) is 4-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-4-phenylbutan-2-one.
What is the SMILES notation for 4-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-4-phenylbutan-2-one?
The canonical SMILES for 4-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-4-phenylbutan-2-one is CC(=O)CC(c1ccccc1)P1(=O)N(c2ccccc2)CCN1c1ccccc1.
What is the InChIKey of 4-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-4-phenylbutan-2-one?
The InChIKey is DGPVCIOVKFSKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N2O2P/c1-20(27)19-24(21-11-5-2-6-12-21)29(28)25(22-13-7-3-8-14-22)17-18-26(29)23-15-9-4-10-16-23/h2-16,24H,17-19H2,1H3.
What are the key properties of 4-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-4-phenylbutan-2-one?
4-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-4-phenylbutan-2-one has a molecular weight of 404.45 g/mol, XLogP of 5.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-4-phenylbutan-2-one is sourced from PubChem (CID 134262757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).