(3S,4S)-1-benzyl-3-[methoxy(phenyl)methyl]-4-phenylazetidin-2-one

C24H23NO2 — CID 10689691

IUPAC(3S,4S)-1-benzyl-3-[methoxy(phenyl)methyl]-4-phenylazetidin-2-one
SMILESCOC(c1ccccc1)[C@H]1C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C24H23NO2/c1-27-23(20-15-9-4-10-16-20)21-22(19-13-7-3-8-14-19)25(24(21)26)17-18-11-5-2-6-12-18/h2-16,21-23H,17H2,1H3/t21-,22+,23?/m0/s1
InChIKeyKLMLQDLEDHVASH-ZVTBYLAHSA-N
MW357.45 g/mol
LogP4.77
Rot. Bonds6

About (3S,4S)-1-benzyl-3-[methoxy(phenyl)methyl]-4-phenylazetidin-2-one

(3S,4S)-1-benzyl-3-[methoxy(phenyl)methyl]-4-phenylazetidin-2-one (PubChem CID 10689691) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is (3S,4S)-1-benzyl-3-[methoxy(phenyl)methyl]-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-1-benzyl-3-[methoxy(phenyl)methyl]-4-phenylazetidin-2-one
PubChem CID10689691
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name(3S,4S)-1-benzyl-3-[methoxy(phenyl)methyl]-4-phenylazetidin-2-one
SMILESCOC(c1ccccc1)[C@H]1C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C24H23NO2/c1-27-23(20-15-9-4-10-16-20)21-22(19-13-7-3-8-14-19)25(24(21)26)17-18-11-5-2-6-12-18/h2-16,21-23H,17H2,1H3/t21-,22+,23?/m0/s1
InChIKeyKLMLQDLEDHVASH-ZVTBYLAHSA-N
XLogP4.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-benzyl-3-[methoxy(phenyl)methyl]-4-phenylazetidin-2-one?
The IUPAC name of (3S,4S)-1-benzyl-3-[methoxy(phenyl)methyl]-4-phenylazetidin-2-one (CID 10689691) is (3S,4S)-1-benzyl-3-[methoxy(phenyl)methyl]-4-phenylazetidin-2-one.
What is the SMILES notation for (3S,4S)-1-benzyl-3-[methoxy(phenyl)methyl]-4-phenylazetidin-2-one?
The canonical SMILES for (3S,4S)-1-benzyl-3-[methoxy(phenyl)methyl]-4-phenylazetidin-2-one is COC(c1ccccc1)[C@H]1C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (3S,4S)-1-benzyl-3-[methoxy(phenyl)methyl]-4-phenylazetidin-2-one?
The InChIKey is KLMLQDLEDHVASH-ZVTBYLAHSA-N. The full InChI is InChI=1S/C24H23NO2/c1-27-23(20-15-9-4-10-16-20)21-22(19-13-7-3-8-14-19)25(24(21)26)17-18-11-5-2-6-12-18/h2-16,21-23H,17H2,1H3/t21-,22+,23?/m0/s1.
What are the key properties of (3S,4S)-1-benzyl-3-[methoxy(phenyl)methyl]-4-phenylazetidin-2-one?
(3S,4S)-1-benzyl-3-[methoxy(phenyl)methyl]-4-phenylazetidin-2-one has a molecular weight of 357.45 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-benzyl-3-[methoxy(phenyl)methyl]-4-phenylazetidin-2-one is sourced from PubChem (CID 10689691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).