(3S,4S)-3-benzyl-1,4-diphenylazetidin-2-one

C22H19NO — CID 1236505

IUPAC(3S,4S)-3-benzyl-1,4-diphenylazetidin-2-one
SMILESO=C1[C@@H](Cc2ccccc2)[C@@H](c2ccccc2)N1c1ccccc1
InChIInChI=1S/C22H19NO/c24-22-20(16-17-10-4-1-5-11-17)21(18-12-6-2-7-13-18)23(22)19-14-8-3-9-15-19/h1-15,20-21H,16H2/t20-,21+/m0/s1
InChIKeyOAJDVBJWASMZHT-LEWJYISDSA-N
MW313.40 g/mol
LogP4.63
Rot. Bonds4

About (3S,4S)-3-benzyl-1,4-diphenylazetidin-2-one

(3S,4S)-3-benzyl-1,4-diphenylazetidin-2-one (PubChem CID 1236505) has the molecular formula C22H19NO and a molecular weight of 313.40 g/mol. Its IUPAC name is (3S,4S)-3-benzyl-1,4-diphenylazetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3-benzyl-1,4-diphenylazetidin-2-one
PubChem CID1236505
Molecular FormulaC22H19NO
Molecular Weight313.40 g/mol
Exact Mass313.15
IUPAC Name(3S,4S)-3-benzyl-1,4-diphenylazetidin-2-one
SMILESO=C1[C@@H](Cc2ccccc2)[C@@H](c2ccccc2)N1c1ccccc1
InChIInChI=1S/C22H19NO/c24-22-20(16-17-10-4-1-5-11-17)21(18-12-6-2-7-13-18)23(22)19-14-8-3-9-15-19/h1-15,20-21H,16H2/t20-,21+/m0/s1
InChIKeyOAJDVBJWASMZHT-LEWJYISDSA-N
XLogP4.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R,4S)-3-benzyl-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 54114179
(4S)-1,3-dibenzyl-4-phenylazetidin-2-one
CID 58632784
(3R,4S)-4-(4-hydroxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one
CID 58890769
(3R)-3-[(3S)-3-hydroxy-3-phenylpropyl]-1,4-diphenylazetidin-2-one
CID 59733906
(3R,4S)-3-hydroxy-1,4-diphenylazetidin-2-one
CID 11424956
1-[[(3S,4R)-2-oxo-1,4-diphenylazetidin-3-yl]methyl]pyrimidine-2,4-dione
CID 11198818
3-(2-chloroethyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 10852860
(3R,4S)-1,4-bis(4-hydroxyphenyl)-3-(3-phenylpropyl)azetidin-2-one
CID 10785566
3-acetyl-1,4-diphenylazetidin-2-one
CID 12575792
(2S)-5-oxo-1-[[(3S,4R)-2-oxo-1,4-diphenylazetidin-3-yl]methyl]pyrrolidine-2-carboxylic acid
CID 11646274
(2S)-5-oxo-1-[[(3R,4R)-2-oxo-1,4-diphenylazetidin-3-yl]methyl]pyrrolidine-2-carboxylic acid
CID 11523427
(3R,4R)-1,4-bis(4-methoxyphenyl)-3-(4-phenylbutyl)azetidin-2-one
CID 102000373

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-benzyl-1,4-diphenylazetidin-2-one?
The IUPAC name of (3S,4S)-3-benzyl-1,4-diphenylazetidin-2-one (CID 1236505) is (3S,4S)-3-benzyl-1,4-diphenylazetidin-2-one.
What is the SMILES notation for (3S,4S)-3-benzyl-1,4-diphenylazetidin-2-one?
The canonical SMILES for (3S,4S)-3-benzyl-1,4-diphenylazetidin-2-one is O=C1[C@@H](Cc2ccccc2)[C@@H](c2ccccc2)N1c1ccccc1.
What is the InChIKey of (3S,4S)-3-benzyl-1,4-diphenylazetidin-2-one?
The InChIKey is OAJDVBJWASMZHT-LEWJYISDSA-N. The full InChI is InChI=1S/C22H19NO/c24-22-20(16-17-10-4-1-5-11-17)21(18-12-6-2-7-13-18)23(22)19-14-8-3-9-15-19/h1-15,20-21H,16H2/t20-,21+/m0/s1.
What are the key properties of (3S,4S)-3-benzyl-1,4-diphenylazetidin-2-one?
(3S,4S)-3-benzyl-1,4-diphenylazetidin-2-one has a molecular weight of 313.40 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-benzyl-1,4-diphenylazetidin-2-one is sourced from PubChem (CID 1236505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).