1-benzyl-4-[(E)-benzylideneamino]-3-methoxy-4-phenylazetidin-2-one

C24H22N2O2 — CID 177455712

IUPAC1-benzyl-4-[(E)-benzylideneamino]-3-methoxy-4-phenylazetidin-2-one
SMILESCOC1C(=O)N(Cc2ccccc2)C1(/N=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22N2O2/c1-28-22-23(27)26(18-20-13-7-3-8-14-20)24(22,21-15-9-4-10-16-21)25-17-19-11-5-2-6-12-19/h2-17,22H,18H2,1H3/b25-17+
InChIKeyQRZJEWCFEMHQKO-KOEQRZSOSA-N
MW370.45 g/mol
LogP4.02
Rot. Bonds6

About 1-benzyl-4-[(E)-benzylideneamino]-3-methoxy-4-phenylazetidin-2-one

1-benzyl-4-[(E)-benzylideneamino]-3-methoxy-4-phenylazetidin-2-one (PubChem CID 177455712) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-benzyl-4-[(E)-benzylideneamino]-3-methoxy-4-phenylazetidin-2-one.

Molecular Properties

Compound Name1-benzyl-4-[(E)-benzylideneamino]-3-methoxy-4-phenylazetidin-2-one
PubChem CID177455712
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name1-benzyl-4-[(E)-benzylideneamino]-3-methoxy-4-phenylazetidin-2-one
SMILESCOC1C(=O)N(Cc2ccccc2)C1(/N=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22N2O2/c1-28-22-23(27)26(18-20-13-7-3-8-14-20)24(22,21-15-9-4-10-16-21)25-17-19-11-5-2-6-12-19/h2-17,22H,18H2,1H3/b25-17+
InChIKeyQRZJEWCFEMHQKO-KOEQRZSOSA-N
XLogP4.02
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(E)-benzylideneamino]-3-methoxy-4-phenylazetidin-2-one?
The IUPAC name of 1-benzyl-4-[(E)-benzylideneamino]-3-methoxy-4-phenylazetidin-2-one (CID 177455712) is 1-benzyl-4-[(E)-benzylideneamino]-3-methoxy-4-phenylazetidin-2-one.
What is the SMILES notation for 1-benzyl-4-[(E)-benzylideneamino]-3-methoxy-4-phenylazetidin-2-one?
The canonical SMILES for 1-benzyl-4-[(E)-benzylideneamino]-3-methoxy-4-phenylazetidin-2-one is COC1C(=O)N(Cc2ccccc2)C1(/N=C/c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzyl-4-[(E)-benzylideneamino]-3-methoxy-4-phenylazetidin-2-one?
The InChIKey is QRZJEWCFEMHQKO-KOEQRZSOSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-28-22-23(27)26(18-20-13-7-3-8-14-20)24(22,21-15-9-4-10-16-21)25-17-19-11-5-2-6-12-19/h2-17,22H,18H2,1H3/b25-17+.
What are the key properties of 1-benzyl-4-[(E)-benzylideneamino]-3-methoxy-4-phenylazetidin-2-one?
1-benzyl-4-[(E)-benzylideneamino]-3-methoxy-4-phenylazetidin-2-one has a molecular weight of 370.45 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(E)-benzylideneamino]-3-methoxy-4-phenylazetidin-2-one is sourced from PubChem (CID 177455712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).