(3S,4R)-1-benzyl-3-(N-methylanilino)-4-phenylazetidin-2-one

C23H22N2O — CID 134919617

IUPAC(3S,4R)-1-benzyl-3-(N-methylanilino)-4-phenylazetidin-2-one
SMILESCN(c1ccccc1)[C@@H]1C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C23H22N2O/c1-24(20-15-9-4-10-16-20)22-21(19-13-7-3-8-14-19)25(23(22)26)17-18-11-5-2-6-12-18/h2-16,21-22H,17H2,1H3/t21-,22+/m1/s1
InChIKeyKEWJPGJECTVAIR-YADHBBJMSA-N
MW342.44 g/mol
LogP4.28
Rot. Bonds5

About (3S,4R)-1-benzyl-3-(N-methylanilino)-4-phenylazetidin-2-one

(3S,4R)-1-benzyl-3-(N-methylanilino)-4-phenylazetidin-2-one (PubChem CID 134919617) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is (3S,4R)-1-benzyl-3-(N-methylanilino)-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-1-benzyl-3-(N-methylanilino)-4-phenylazetidin-2-one
PubChem CID134919617
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name(3S,4R)-1-benzyl-3-(N-methylanilino)-4-phenylazetidin-2-one
SMILESCN(c1ccccc1)[C@@H]1C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C23H22N2O/c1-24(20-15-9-4-10-16-20)22-21(19-13-7-3-8-14-19)25(23(22)26)17-18-11-5-2-6-12-18/h2-16,21-22H,17H2,1H3/t21-,22+/m1/s1
InChIKeyKEWJPGJECTVAIR-YADHBBJMSA-N
XLogP4.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-3-amino-1-benzyl-4-phenylazetidin-2-one
CID 40999549
(4S)-1,3-dibenzyl-4-phenylazetidin-2-one
CID 58632784
(4S)-1-benzyl-3-ethenyl-4-phenylazetidin-2-one
CID 11265521
methyl (3R,4S)-1-benzyl-2-oxo-4-phenylazetidine-3-carboxylate
CID 10469773
(3R)-1-benzyl-3-diethoxyphosphoryl-4-phenylazetidin-2-one
CID 101371767
1-benzyl-3-hydroxy-4-(4-methylphenyl)azetidin-2-one
CID 91824522
1-benzyl-4-(4-bromophenyl)-3-phenylazetidin-2-one
CID 101419335
(3R,5R)-1-benzyl-3-methyl-5-phenylpyrrolidin-2-one
CID 102276897
4-amino-1-benzyl-5-phenylpyrrolidin-2-one
CID 83693774
1-benzyl-4-phenylazetidin-2-one;ethane
CID 91301101
1-benzyl-4-(dimethylamino)-3-methoxy-2,5-diphenyl-2,3-dihydropyridin-6-one
CID 10573734
(4S,5S)-1,3-dibenzyl-4,5-diphenylimidazolidine-2-thione
CID 24767043

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-benzyl-3-(N-methylanilino)-4-phenylazetidin-2-one?
The IUPAC name of (3S,4R)-1-benzyl-3-(N-methylanilino)-4-phenylazetidin-2-one (CID 134919617) is (3S,4R)-1-benzyl-3-(N-methylanilino)-4-phenylazetidin-2-one.
What is the SMILES notation for (3S,4R)-1-benzyl-3-(N-methylanilino)-4-phenylazetidin-2-one?
The canonical SMILES for (3S,4R)-1-benzyl-3-(N-methylanilino)-4-phenylazetidin-2-one is CN(c1ccccc1)[C@@H]1C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-1-benzyl-3-(N-methylanilino)-4-phenylazetidin-2-one?
The InChIKey is KEWJPGJECTVAIR-YADHBBJMSA-N. The full InChI is InChI=1S/C23H22N2O/c1-24(20-15-9-4-10-16-20)22-21(19-13-7-3-8-14-19)25(23(22)26)17-18-11-5-2-6-12-18/h2-16,21-22H,17H2,1H3/t21-,22+/m1/s1.
What are the key properties of (3S,4R)-1-benzyl-3-(N-methylanilino)-4-phenylazetidin-2-one?
(3S,4R)-1-benzyl-3-(N-methylanilino)-4-phenylazetidin-2-one has a molecular weight of 342.44 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-benzyl-3-(N-methylanilino)-4-phenylazetidin-2-one is sourced from PubChem (CID 134919617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).