[(1R)-2-[(2R,3R)-2-(4-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl]-1-phenylethyl] acetate

C26H25NO4 — CID 59894606

IUPAC[(1R)-2-[(2R,3R)-2-(4-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl]-1-phenylethyl] acetate
SMILESCOc1ccc([C@H]2[C@@H](C[C@@H](OC(C)=O)c3ccccc3)C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C26H25NO4/c1-18(28)31-24(19-9-5-3-6-10-19)17-23-25(20-13-15-22(30-2)16-14-20)27(26(23)29)21-11-7-4-8-12-21/h3-16,23-25H,17H2,1-2H3/t23-,24-,25+/m1/s1
InChIKeyVVRPBFONWTXKDS-SDHSZQHLSA-N
MW415.49 g/mol
LogP5.09
Rot. Bonds7

About [(1R)-2-[(2R,3R)-2-(4-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl]-1-phenylethyl] acetate

[(1R)-2-[(2R,3R)-2-(4-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl]-1-phenylethyl] acetate (PubChem CID 59894606) has the molecular formula C26H25NO4 and a molecular weight of 415.49 g/mol. Its IUPAC name is [(1R)-2-[(2R,3R)-2-(4-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl]-1-phenylethyl] acetate.

Molecular Properties

Compound Name[(1R)-2-[(2R,3R)-2-(4-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl]-1-phenylethyl] acetate
PubChem CID59894606
Molecular FormulaC26H25NO4
Molecular Weight415.49 g/mol
Exact Mass415.18
IUPAC Name[(1R)-2-[(2R,3R)-2-(4-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl]-1-phenylethyl] acetate
SMILESCOc1ccc([C@H]2[C@@H](C[C@@H](OC(C)=O)c3ccccc3)C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C26H25NO4/c1-18(28)31-24(19-9-5-3-6-10-19)17-23-25(20-13-15-22(30-2)16-14-20)27(26(23)29)21-11-7-4-8-12-21/h3-16,23-25H,17H2,1-2H3/t23-,24-,25+/m1/s1
InChIKeyVVRPBFONWTXKDS-SDHSZQHLSA-N
XLogP5.09
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.49
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1R)-2-[(2R,3R)-2-(4-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl]-1-phenylethyl] acetate with MolForge

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Related Compounds

(3S,4S)-3-[(3R)-3-hydroxy-3-phenylpropyl]-1,4-bis(4-methoxyphenyl)azetidin-2-one;(3S,4R)-3-[(3S)-3-hydroxy-3-phenylpropyl]-1,4-bis(4-methoxyphenyl)azetidin-2-one;(4S)-3-[(3S)-3-hydroxy-3-phenylpropyl]-1,4-bis(4-methoxyphenyl)azetidin-2-one;(4S)-3-[(3R)-3-hydroxy-3-phenylpropyl]-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 159825691
3-(2-chloroethyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 10852860
(3R,4S)-3-benzyl-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 54114179
3-amino-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 12545415
1-(4-aminophenyl)-3-[(3S)-3-hydroxy-3-phenylpropyl]-4-(4-methoxyphenyl)azetidin-2-one
CID 59812754
N-[4-[(2S,3R)-1-(4-methoxyphenyl)-4-oxo-3-(3-phenylpropyl)azetidin-2-yl]phenyl]acetamide
CID 10717429
(3R,4R)-1,4-bis(4-methoxyphenyl)-3-(4-phenylbutyl)azetidin-2-one
CID 102000373
(3R,4S)-3-[2-(benzenesulfonyl)ethyl]-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 10812133
[(1S)-1-(4-fluorophenyl)-3-[(3R,4S)-1-(4-fluorophenyl)-2-oxo-4-[4-(trifluoromethylsulfonyloxy)phenyl]azetidin-3-yl]propyl] acetate
CID 58895823
[(1S)-1-(4-fluorophenyl)-3-[(2S,3R)-1-(4-fluorophenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-4-oxoazetidin-3-yl]propyl] acetate
CID 11526292
[1-(4-fluorophenyl)-3-[1-(4-fluorophenyl)-2-(4-hydroxyphenyl)-4-oxoazetidin-3-yl]propyl] acetate
CID 22252070
(3S,4R)-3-ethenyl-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 14068192

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-[(2R,3R)-2-(4-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl]-1-phenylethyl] acetate?
The IUPAC name of [(1R)-2-[(2R,3R)-2-(4-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl]-1-phenylethyl] acetate (CID 59894606) is [(1R)-2-[(2R,3R)-2-(4-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl]-1-phenylethyl] acetate.
What is the SMILES notation for [(1R)-2-[(2R,3R)-2-(4-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl]-1-phenylethyl] acetate?
The canonical SMILES for [(1R)-2-[(2R,3R)-2-(4-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl]-1-phenylethyl] acetate is COc1ccc([C@H]2[C@@H](C[C@@H](OC(C)=O)c3ccccc3)C(=O)N2c2ccccc2)cc1.
What is the InChIKey of [(1R)-2-[(2R,3R)-2-(4-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl]-1-phenylethyl] acetate?
The InChIKey is VVRPBFONWTXKDS-SDHSZQHLSA-N. The full InChI is InChI=1S/C26H25NO4/c1-18(28)31-24(19-9-5-3-6-10-19)17-23-25(20-13-15-22(30-2)16-14-20)27(26(23)29)21-11-7-4-8-12-21/h3-16,23-25H,17H2,1-2H3/t23-,24-,25+/m1/s1.
What are the key properties of [(1R)-2-[(2R,3R)-2-(4-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl]-1-phenylethyl] acetate?
[(1R)-2-[(2R,3R)-2-(4-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl]-1-phenylethyl] acetate has a molecular weight of 415.49 g/mol, XLogP of 5.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-[(2R,3R)-2-(4-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl]-1-phenylethyl] acetate is sourced from PubChem (CID 59894606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).