(4R)-3-diethoxyphosphoryl-4-methyl-4-phenyl-1-[(1R)-1-phenylethyl]azetidin-2-one

C22H28NO4P — CID 102522932

IUPAC(4R)-3-diethoxyphosphoryl-4-methyl-4-phenyl-1-[(1R)-1-phenylethyl]azetidin-2-one
SMILESCCOP(=O)(OCC)C1C(=O)N([C@H](C)c2ccccc2)[C@]1(C)c1ccccc1
InChIInChI=1S/C22H28NO4P/c1-5-26-28(25,27-6-2)20-21(24)23(17(3)18-13-9-7-10-14-18)22(20,4)19-15-11-8-12-16-19/h7-17,20H,5-6H2,1-4H3/t17-,20?,22-/m1/s1
InChIKeyNHGIWRFVYGTAIM-IOVLZCAISA-N
MW401.44 g/mol
LogP5.14
Rot. Bonds8

About (4R)-3-diethoxyphosphoryl-4-methyl-4-phenyl-1-[(1R)-1-phenylethyl]azetidin-2-one

(4R)-3-diethoxyphosphoryl-4-methyl-4-phenyl-1-[(1R)-1-phenylethyl]azetidin-2-one (PubChem CID 102522932) has the molecular formula C22H28NO4P and a molecular weight of 401.44 g/mol. Its IUPAC name is (4R)-3-diethoxyphosphoryl-4-methyl-4-phenyl-1-[(1R)-1-phenylethyl]azetidin-2-one.

Molecular Properties

Compound Name(4R)-3-diethoxyphosphoryl-4-methyl-4-phenyl-1-[(1R)-1-phenylethyl]azetidin-2-one
PubChem CID102522932
Molecular FormulaC22H28NO4P
Molecular Weight401.44 g/mol
Exact Mass401.18
IUPAC Name(4R)-3-diethoxyphosphoryl-4-methyl-4-phenyl-1-[(1R)-1-phenylethyl]azetidin-2-one
SMILESCCOP(=O)(OCC)C1C(=O)N([C@H](C)c2ccccc2)[C@]1(C)c1ccccc1
InChIInChI=1S/C22H28NO4P/c1-5-26-28(25,27-6-2)20-21(24)23(17(3)18-13-9-7-10-14-18)22(20,4)19-15-11-8-12-16-19/h7-17,20H,5-6H2,1-4H3/t17-,20?,22-/m1/s1
InChIKeyNHGIWRFVYGTAIM-IOVLZCAISA-N
XLogP5.14
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.44
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-diethoxyphosphoryl-2-methyl-1-[(1R)-1-phenylethyl]pyrrolidine
CID 102449171
(3R,3aS,6aR)-3-diethoxyphosphoryl-2-[(1S)-1-phenylethyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[d][1,2]oxazole
CID 102413285
1-[ethoxy(phenyl)phosphoryl]ethylbenzene
CID 11778094
2,5-bis(diethoxyphosphoryl)-3,6-diphenyl-2,5-dihydropyrazine
CID 102245838
3-ethyl-4-methyl-4-(methylperoxymethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 89166679
bis(diethoxyphosphoryl)methylbenzene
CID 11132243
diethyl [(1S)-1-phenylethyl] phosphate
CID 10945101
3-ethyl-4-methyl-1,4-diphenylazetidin-2-one
CID 135025693
cis-(1S,2S)-1-diethoxyphosphoryl-2-methyl-N-[(1R)-1-phenylethyl]cyclopropan-1-amine
CID 10781332
methyl 4-diethoxyphosphoryl-5-oxo-1-(1-phenylethyl)-2H-pyrrole-3-carboxylate
CID 45112869
[bromo(phenyl)methyl]-ethoxyphosphinic acid
CID 88730556
[(1R,2R)-2-diethoxyphosphorylcyclopropyl]benzene
CID 13128707

Frequently Asked Questions

What is the IUPAC name of (4R)-3-diethoxyphosphoryl-4-methyl-4-phenyl-1-[(1R)-1-phenylethyl]azetidin-2-one?
The IUPAC name of (4R)-3-diethoxyphosphoryl-4-methyl-4-phenyl-1-[(1R)-1-phenylethyl]azetidin-2-one (CID 102522932) is (4R)-3-diethoxyphosphoryl-4-methyl-4-phenyl-1-[(1R)-1-phenylethyl]azetidin-2-one.
What is the SMILES notation for (4R)-3-diethoxyphosphoryl-4-methyl-4-phenyl-1-[(1R)-1-phenylethyl]azetidin-2-one?
The canonical SMILES for (4R)-3-diethoxyphosphoryl-4-methyl-4-phenyl-1-[(1R)-1-phenylethyl]azetidin-2-one is CCOP(=O)(OCC)C1C(=O)N([C@H](C)c2ccccc2)[C@]1(C)c1ccccc1.
What is the InChIKey of (4R)-3-diethoxyphosphoryl-4-methyl-4-phenyl-1-[(1R)-1-phenylethyl]azetidin-2-one?
The InChIKey is NHGIWRFVYGTAIM-IOVLZCAISA-N. The full InChI is InChI=1S/C22H28NO4P/c1-5-26-28(25,27-6-2)20-21(24)23(17(3)18-13-9-7-10-14-18)22(20,4)19-15-11-8-12-16-19/h7-17,20H,5-6H2,1-4H3/t17-,20?,22-/m1/s1.
What are the key properties of (4R)-3-diethoxyphosphoryl-4-methyl-4-phenyl-1-[(1R)-1-phenylethyl]azetidin-2-one?
(4R)-3-diethoxyphosphoryl-4-methyl-4-phenyl-1-[(1R)-1-phenylethyl]azetidin-2-one has a molecular weight of 401.44 g/mol, XLogP of 5.14, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-diethoxyphosphoryl-4-methyl-4-phenyl-1-[(1R)-1-phenylethyl]azetidin-2-one is sourced from PubChem (CID 102522932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).