(3R,4R)-3-(dibenzylamino)-4-phenylazetidin-2-one

C23H22N2O — CID 95906850

IUPAC(3R,4R)-3-(dibenzylamino)-4-phenylazetidin-2-one
SMILESO=C1N[C@H](c2ccccc2)[C@H]1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H22N2O/c26-23-22(21(24-23)20-14-8-3-9-15-20)25(16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-15,21-22H,16-17H2,(H,24,26)/t21-,22-/m1/s1
InChIKeyNCBPYFZKSGGZGP-FGZHOGPDSA-N
MW342.44 g/mol
LogP3.93
Rot. Bonds6

About (3R,4R)-3-(dibenzylamino)-4-phenylazetidin-2-one

(3R,4R)-3-(dibenzylamino)-4-phenylazetidin-2-one (PubChem CID 95906850) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is (3R,4R)-3-(dibenzylamino)-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-(dibenzylamino)-4-phenylazetidin-2-one
PubChem CID95906850
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name(3R,4R)-3-(dibenzylamino)-4-phenylazetidin-2-one
SMILESO=C1N[C@H](c2ccccc2)[C@H]1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H22N2O/c26-23-22(21(24-23)20-14-8-3-9-15-20)25(16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-15,21-22H,16-17H2,(H,24,26)/t21-,22-/m1/s1
InChIKeyNCBPYFZKSGGZGP-FGZHOGPDSA-N
XLogP3.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-(dibenzylamino)-4-phenylazetidin-2-one?
The IUPAC name of (3R,4R)-3-(dibenzylamino)-4-phenylazetidin-2-one (CID 95906850) is (3R,4R)-3-(dibenzylamino)-4-phenylazetidin-2-one.
What is the SMILES notation for (3R,4R)-3-(dibenzylamino)-4-phenylazetidin-2-one?
The canonical SMILES for (3R,4R)-3-(dibenzylamino)-4-phenylazetidin-2-one is O=C1N[C@H](c2ccccc2)[C@H]1N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (3R,4R)-3-(dibenzylamino)-4-phenylazetidin-2-one?
The InChIKey is NCBPYFZKSGGZGP-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H22N2O/c26-23-22(21(24-23)20-14-8-3-9-15-20)25(16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-15,21-22H,16-17H2,(H,24,26)/t21-,22-/m1/s1.
What are the key properties of (3R,4R)-3-(dibenzylamino)-4-phenylazetidin-2-one?
(3R,4R)-3-(dibenzylamino)-4-phenylazetidin-2-one has a molecular weight of 342.44 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-(dibenzylamino)-4-phenylazetidin-2-one is sourced from PubChem (CID 95906850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).