(4R)-1-[(1S,2R)-2-methoxy-1,2-diphenylethyl]-3,3-dimethyl-4-phenylazetidin-2-one

C26H27NO2 — CID 11257647

IUPAC(4R)-1-[(1S,2R)-2-methoxy-1,2-diphenylethyl]-3,3-dimethyl-4-phenylazetidin-2-one
SMILESCO[C@H](c1ccccc1)[C@H](c1ccccc1)N1C(=O)C(C)(C)[C@H]1c1ccccc1
InChIInChI=1S/C26H27NO2/c1-26(2)24(21-17-11-6-12-18-21)27(25(26)28)22(19-13-7-4-8-14-19)23(29-3)20-15-9-5-10-16-20/h4-18,22-24H,1-3H3/t22-,23+,24+/m0/s1
InChIKeyVMNRTCGTPPMMPP-RBZQAINGSA-N
MW385.51 g/mol
LogP5.73
Rot. Bonds6

About (4R)-1-[(1S,2R)-2-methoxy-1,2-diphenylethyl]-3,3-dimethyl-4-phenylazetidin-2-one

(4R)-1-[(1S,2R)-2-methoxy-1,2-diphenylethyl]-3,3-dimethyl-4-phenylazetidin-2-one (PubChem CID 11257647) has the molecular formula C26H27NO2 and a molecular weight of 385.51 g/mol. Its IUPAC name is (4R)-1-[(1S,2R)-2-methoxy-1,2-diphenylethyl]-3,3-dimethyl-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(4R)-1-[(1S,2R)-2-methoxy-1,2-diphenylethyl]-3,3-dimethyl-4-phenylazetidin-2-one
PubChem CID11257647
Molecular FormulaC26H27NO2
Molecular Weight385.51 g/mol
Exact Mass385.20
IUPAC Name(4R)-1-[(1S,2R)-2-methoxy-1,2-diphenylethyl]-3,3-dimethyl-4-phenylazetidin-2-one
SMILESCO[C@H](c1ccccc1)[C@H](c1ccccc1)N1C(=O)C(C)(C)[C@H]1c1ccccc1
InChIInChI=1S/C26H27NO2/c1-26(2)24(21-17-11-6-12-18-21)27(25(26)28)22(19-13-7-4-8-14-19)23(29-3)20-15-9-5-10-16-20/h4-18,22-24H,1-3H3/t22-,23+,24+/m0/s1
InChIKeyVMNRTCGTPPMMPP-RBZQAINGSA-N
XLogP5.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4R)-1-[(1S,2R)-2-methoxy-1,2-diphenylethyl]-3,3-dimethyl-4-phenylazetidin-2-one with MolForge

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Related Compounds

benzyl 4,4-dimethyl-3-oxo-2-((3S,4R)-2-oxo-3-((S)-2-oxo-4-phenyloxazolidin-3-yl)-4-phenethylazetidin-1-yl)pentanoate
CID 44428413
Benzoic acid 1-benzoyl-3-benzyl-4-oxo-azetidin-2-ylmethyl ester
CID 10787095
(1R,3R,5R)-3-[(1S)-1-hydroxypropyl]-1,5-diphenyl-6-[(1S)-1-phenylethyl]-2-oxa-6-azaspiro[3.3]heptan-7-one
CID 44432118
(1R,5R,7R,8S)-7-ethyl-8-hydroxy-1,5-diphenyl-2-[(1S)-1-phenylethyl]-6-oxa-2-azaspiro[3.4]octan-3-one
CID 44432119
(1R,3R,5S)-3-[(1S)-1-hydroxypropyl]-1,5-diphenyl-6-[(1S)-1-phenylethyl]-2-oxa-6-azaspiro[3.3]heptan-7-one
CID 44432120
(1S,5R,7R,8S)-7-ethyl-8-hydroxy-1,5-diphenyl-2-[(1S)-1-phenylethyl]-6-oxa-2-azaspiro[3.4]octan-3-one
CID 44432121
methyl (E)-2-[[(3S,4R)-3-methoxy-2-oxo-4-phenylazetidin-1-yl]methyl]-3-phenylprop-2-enoate
CID 134142180
(3R,4R)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
CID 10521752
(3S,4S)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
CID 10617763
(3S,4R)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
CID 134835524
2-[4-(Diphenylmethyl)piperazin-1-yl]-2-oxo-1-phenylethyl acetate
CID 2933486
(4-(Tert-butyl)phenyl)(2-phenylmorpholino)methanone
CID 16894722

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[(1S,2R)-2-methoxy-1,2-diphenylethyl]-3,3-dimethyl-4-phenylazetidin-2-one?
The IUPAC name of (4R)-1-[(1S,2R)-2-methoxy-1,2-diphenylethyl]-3,3-dimethyl-4-phenylazetidin-2-one (CID 11257647) is (4R)-1-[(1S,2R)-2-methoxy-1,2-diphenylethyl]-3,3-dimethyl-4-phenylazetidin-2-one.
What is the SMILES notation for (4R)-1-[(1S,2R)-2-methoxy-1,2-diphenylethyl]-3,3-dimethyl-4-phenylazetidin-2-one?
The canonical SMILES for (4R)-1-[(1S,2R)-2-methoxy-1,2-diphenylethyl]-3,3-dimethyl-4-phenylazetidin-2-one is CO[C@H](c1ccccc1)[C@H](c1ccccc1)N1C(=O)C(C)(C)[C@H]1c1ccccc1.
What is the InChIKey of (4R)-1-[(1S,2R)-2-methoxy-1,2-diphenylethyl]-3,3-dimethyl-4-phenylazetidin-2-one?
The InChIKey is VMNRTCGTPPMMPP-RBZQAINGSA-N. The full InChI is InChI=1S/C26H27NO2/c1-26(2)24(21-17-11-6-12-18-21)27(25(26)28)22(19-13-7-4-8-14-19)23(29-3)20-15-9-5-10-16-20/h4-18,22-24H,1-3H3/t22-,23+,24+/m0/s1.
What are the key properties of (4R)-1-[(1S,2R)-2-methoxy-1,2-diphenylethyl]-3,3-dimethyl-4-phenylazetidin-2-one?
(4R)-1-[(1S,2R)-2-methoxy-1,2-diphenylethyl]-3,3-dimethyl-4-phenylazetidin-2-one has a molecular weight of 385.51 g/mol, XLogP of 5.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[(1S,2R)-2-methoxy-1,2-diphenylethyl]-3,3-dimethyl-4-phenylazetidin-2-one is sourced from PubChem (CID 11257647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).