(4S)-1,3-dibenzyl-4-phenylazetidin-2-one

C23H21NO — CID 58632784

IUPAC(4S)-1,3-dibenzyl-4-phenylazetidin-2-one
SMILESO=C1C(Cc2ccccc2)[C@@H](c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C23H21NO/c25-23-21(16-18-10-4-1-5-11-18)22(20-14-8-3-9-15-20)24(23)17-19-12-6-2-7-13-19/h1-15,21-22H,16-17H2/t21?,22-/m1/s1
InChIKeyAZWLGDRXDMEASF-FOIFJWKZSA-N
MW327.43 g/mol
LogP4.63
Rot. Bonds5

About (4S)-1,3-dibenzyl-4-phenylazetidin-2-one

(4S)-1,3-dibenzyl-4-phenylazetidin-2-one (PubChem CID 58632784) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is (4S)-1,3-dibenzyl-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(4S)-1,3-dibenzyl-4-phenylazetidin-2-one
PubChem CID58632784
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name(4S)-1,3-dibenzyl-4-phenylazetidin-2-one
SMILESO=C1C(Cc2ccccc2)[C@@H](c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C23H21NO/c25-23-21(16-18-10-4-1-5-11-18)22(20-14-8-3-9-15-20)24(23)17-19-12-6-2-7-13-19/h1-15,21-22H,16-17H2/t21?,22-/m1/s1
InChIKeyAZWLGDRXDMEASF-FOIFJWKZSA-N
XLogP4.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S,4S)-3-amino-1-benzyl-4-phenylazetidin-2-one
CID 40999549
(3S,4S)-3-benzyl-1,4-diphenylazetidin-2-one
CID 1236505
(5R,6S)-1,3,5-tribenzyl-6-(4-methoxyphenyl)-1,3-diazinane-2,4-dione
CID 166443703
1-benzyl-4-(4-bromophenyl)-3-phenylazetidin-2-one
CID 101419335
methyl 3-(1-benzyl-2-oxo-4-phenylazetidin-3-yl)propanoate
CID 23572772
(4S)-1-benzyl-3-ethenyl-4-phenylazetidin-2-one
CID 11265521
(3S,4R)-1-benzyl-3-(N-methylanilino)-4-phenylazetidin-2-one
CID 134919617
(1S,2S,5R,6R)-2,3,5-tribenzyl-7-oxa-3-azabicyclo[4.1.0]heptan-4-one
CID 11728700
methyl (3R,4S)-1-benzyl-2-oxo-4-phenylazetidine-3-carboxylate
CID 10469773
(4S,5S)-1,3-dibenzyl-4,5-diphenylimidazolidine-2-thione
CID 24767043
(3R)-1-benzyl-3-diethoxyphosphoryl-4-phenylazetidin-2-one
CID 101371767
1-benzyl-3-hydroxy-4-(4-methylphenyl)azetidin-2-one
CID 91824522

Frequently Asked Questions

What is the IUPAC name of (4S)-1,3-dibenzyl-4-phenylazetidin-2-one?
The IUPAC name of (4S)-1,3-dibenzyl-4-phenylazetidin-2-one (CID 58632784) is (4S)-1,3-dibenzyl-4-phenylazetidin-2-one.
What is the SMILES notation for (4S)-1,3-dibenzyl-4-phenylazetidin-2-one?
The canonical SMILES for (4S)-1,3-dibenzyl-4-phenylazetidin-2-one is O=C1C(Cc2ccccc2)[C@@H](c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of (4S)-1,3-dibenzyl-4-phenylazetidin-2-one?
The InChIKey is AZWLGDRXDMEASF-FOIFJWKZSA-N. The full InChI is InChI=1S/C23H21NO/c25-23-21(16-18-10-4-1-5-11-18)22(20-14-8-3-9-15-20)24(23)17-19-12-6-2-7-13-19/h1-15,21-22H,16-17H2/t21?,22-/m1/s1.
What are the key properties of (4S)-1,3-dibenzyl-4-phenylazetidin-2-one?
(4S)-1,3-dibenzyl-4-phenylazetidin-2-one has a molecular weight of 327.43 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1,3-dibenzyl-4-phenylazetidin-2-one is sourced from PubChem (CID 58632784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).