(3R)-1-benzyl-3-diethoxyphosphoryl-4-phenylazetidin-2-one

C20H24NO4P — CID 101371767

IUPAC(3R)-1-benzyl-3-diethoxyphosphoryl-4-phenylazetidin-2-one
SMILESCCOP(=O)(OCC)[C@H]1C(=O)N(Cc2ccccc2)C1c1ccccc1
InChIInChI=1S/C20H24NO4P/c1-3-24-26(23,25-4-2)19-18(17-13-9-6-10-14-17)21(20(19)22)15-16-11-7-5-8-12-16/h5-14,18-19H,3-4,15H2,1-2H3/t18?,19-/m1/s1
InChIKeyKLHQLUPRKLHJEP-MUMRKEEXSA-N
MW373.39 g/mol
LogP4.40
Rot. Bonds8

About (3R)-1-benzyl-3-diethoxyphosphoryl-4-phenylazetidin-2-one

(3R)-1-benzyl-3-diethoxyphosphoryl-4-phenylazetidin-2-one (PubChem CID 101371767) has the molecular formula C20H24NO4P and a molecular weight of 373.39 g/mol. Its IUPAC name is (3R)-1-benzyl-3-diethoxyphosphoryl-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(3R)-1-benzyl-3-diethoxyphosphoryl-4-phenylazetidin-2-one
PubChem CID101371767
Molecular FormulaC20H24NO4P
Molecular Weight373.39 g/mol
Exact Mass373.14
IUPAC Name(3R)-1-benzyl-3-diethoxyphosphoryl-4-phenylazetidin-2-one
SMILESCCOP(=O)(OCC)[C@H]1C(=O)N(Cc2ccccc2)C1c1ccccc1
InChIInChI=1S/C20H24NO4P/c1-3-24-26(23,25-4-2)19-18(17-13-9-6-10-14-17)21(20(19)22)15-16-11-7-5-8-12-16/h5-14,18-19H,3-4,15H2,1-2H3/t18?,19-/m1/s1
InChIKeyKLHQLUPRKLHJEP-MUMRKEEXSA-N
XLogP4.40
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 54.40
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

(3S,4S)-3-amino-1-benzyl-4-phenylazetidin-2-one
CID 40999549
methyl (3R,4S)-1-benzyl-2-oxo-4-phenylazetidine-3-carboxylate
CID 10469773
(4S)-1,3-dibenzyl-4-phenylazetidin-2-one
CID 58632784
(3S,4R)-1-benzyl-3-(N-methylanilino)-4-phenylazetidin-2-one
CID 134919617
(4S)-1-benzyl-3-ethenyl-4-phenylazetidin-2-one
CID 11265521
2-benzyl-5-diethoxyphosphoryl-3-phenyl-1,2-oxazolidine
CID 15180764
methyl 3-(1-benzyl-2-oxo-4-phenylazetidin-3-yl)propanoate
CID 23572772
3-amino-1-benzyl-4-(3-methoxyphenyl)azetidin-2-one
CID 102537099
1-benzyl-2-diethoxyphosphorylpyrrolidine
CID 12765070
1-benzyl-3-hydroxy-4-(4-methylphenyl)azetidin-2-one
CID 91824522
1-benzyl-4-(4-bromophenyl)-3-phenylazetidin-2-one
CID 101419335
(4R,5R)-4-diethoxyphosphoryl-9-methoxy-12-oxa-2-azatetracyclo[11.4.0.02,5.06,11]heptadeca-1(17),6(11),7,9,13,15-hexaen-3-one
CID 53360761

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-3-diethoxyphosphoryl-4-phenylazetidin-2-one?
The IUPAC name of (3R)-1-benzyl-3-diethoxyphosphoryl-4-phenylazetidin-2-one (CID 101371767) is (3R)-1-benzyl-3-diethoxyphosphoryl-4-phenylazetidin-2-one.
What is the SMILES notation for (3R)-1-benzyl-3-diethoxyphosphoryl-4-phenylazetidin-2-one?
The canonical SMILES for (3R)-1-benzyl-3-diethoxyphosphoryl-4-phenylazetidin-2-one is CCOP(=O)(OCC)[C@H]1C(=O)N(Cc2ccccc2)C1c1ccccc1.
What is the InChIKey of (3R)-1-benzyl-3-diethoxyphosphoryl-4-phenylazetidin-2-one?
The InChIKey is KLHQLUPRKLHJEP-MUMRKEEXSA-N. The full InChI is InChI=1S/C20H24NO4P/c1-3-24-26(23,25-4-2)19-18(17-13-9-6-10-14-17)21(20(19)22)15-16-11-7-5-8-12-16/h5-14,18-19H,3-4,15H2,1-2H3/t18?,19-/m1/s1.
What are the key properties of (3R)-1-benzyl-3-diethoxyphosphoryl-4-phenylazetidin-2-one?
(3R)-1-benzyl-3-diethoxyphosphoryl-4-phenylazetidin-2-one has a molecular weight of 373.39 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-3-diethoxyphosphoryl-4-phenylazetidin-2-one is sourced from PubChem (CID 101371767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).