benzyl [(1R)-1-[(3S,4S)-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-2-oxo-4-(2,2,5-trimethyl-5-silyloxyhex-3-en-3-yl)azetidin-3-yl]ethyl] carbonate

C39H51NO7Si — CID 154317029

IUPACbenzyl [(1R)-1-[(3S,4S)-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-2-oxo-4-(2,2,5-trimethyl-5-silyloxyhex-3-en-3-yl)azetidin-3-yl]ethyl] carbonate
SMILESCOc1ccc(CC(Cc2ccc(OC)cc2)N2C(=O)[C@H]([C@@H](C)OC(=O)OCc3ccccc3)[C@H]2C(=CC(C)(C)O[SiH3])C(C)(C)C)cc1
InChIInChI=1S/C39H51NO7Si/c1-26(46-37(42)45-25-29-12-10-9-11-13-29)34-35(33(38(2,3)4)24-39(5,6)47-48)40(36(34)41)30(22-27-14-18-31(43-7)19-15-27)23-28-16-20-32(44-8)21-17-28/h9-21,24,26,30,34-35H,22-23,25H2,1-8,48H3/t26-,34-,35-/m1/s1
InChIKeyHRVGNGJAMUQJBV-DTTZNNBASA-N
MW673.92 g/mol
LogP6.47
Rot. Bonds14

About benzyl [(1R)-1-[(3S,4S)-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-2-oxo-4-(2,2,5-trimethyl-5-silyloxyhex-3-en-3-yl)azetidin-3-yl]ethyl] carbonate

benzyl [(1R)-1-[(3S,4S)-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-2-oxo-4-(2,2,5-trimethyl-5-silyloxyhex-3-en-3-yl)azetidin-3-yl]ethyl] carbonate (PubChem CID 154317029) has the molecular formula C39H51NO7Si and a molecular weight of 673.92 g/mol. Its IUPAC name is benzyl [(1R)-1-[(3S,4S)-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-2-oxo-4-(2,2,5-trimethyl-5-silyloxyhex-3-en-3-yl)azetidin-3-yl]ethyl] carbonate.

Molecular Properties

Compound Namebenzyl [(1R)-1-[(3S,4S)-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-2-oxo-4-(2,2,5-trimethyl-5-silyloxyhex-3-en-3-yl)azetidin-3-yl]ethyl] carbonate
PubChem CID154317029
Molecular FormulaC39H51NO7Si
Molecular Weight673.92 g/mol
Exact Mass673.34
IUPAC Namebenzyl [(1R)-1-[(3S,4S)-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-2-oxo-4-(2,2,5-trimethyl-5-silyloxyhex-3-en-3-yl)azetidin-3-yl]ethyl] carbonate
SMILESCOc1ccc(CC(Cc2ccc(OC)cc2)N2C(=O)[C@H]([C@@H](C)OC(=O)OCc3ccccc3)[C@H]2C(=CC(C)(C)O[SiH3])C(C)(C)C)cc1
InChIInChI=1S/C39H51NO7Si/c1-26(46-37(42)45-25-29-12-10-9-11-13-29)34-35(33(38(2,3)4)24-39(5,6)47-48)40(36(34)41)30(22-27-14-18-31(43-7)19-15-27)23-28-16-20-32(44-8)21-17-28/h9-21,24,26,30,34-35H,22-23,25H2,1-8,48H3/t26-,34-,35-/m1/s1
InChIKeyHRVGNGJAMUQJBV-DTTZNNBASA-N
XLogP6.47
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.92
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze benzyl [(1R)-1-[(3S,4S)-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-2-oxo-4-(2,2,5-trimethyl-5-silyloxyhex-3-en-3-yl)azetidin-3-yl]ethyl] carbonate with MolForge

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Related Compounds

[(1R)-1-[(2S,3S)-2-(1-benzhydrylsilyloxyprop-1-enyl)-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-4-oxoazetidin-3-yl]ethyl] benzyl carbonate
CID 154478941
benzyl [(1R)-1-[(2R,3S)-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-2-[(2R)-3-dimethylsilyloxy-4,4-dimethylpentan-2-yl]-4-oxoazetidin-3-yl]ethyl] carbonate
CID 173413439
benzyl 1-[(2S,3S)-1-[bis(4-methoxyphenyl)methyl]-2-[(Z)-1-dimethylsilyloxy-4,4-dimethylpent-2-en-3-yl]-4-oxoazetidin-3-yl]ethyl carbonate
CID 173345580
benzyl [(1R)-1-[(2S,3S)-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-oxoazetidin-3-yl]ethyl] carbonate
CID 67796524
benzyl 1-[(2S,3S)-1-[bis(4-methoxyphenyl)methyl]-2-(1-chloropropan-2-yl)-4-oxoazetidin-3-yl]ethyl carbonate
CID 70356313
1-[1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-2-[1-[(4-methoxyphenyl)methoxy]-2-oxoethyl]-4-oxoazetidin-3-yl]ethyl (4-nitrophenyl)methyl carbonate
CID 88721958
butyl 1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-3-(1-hydroxyethyl)-4-oxoazetidine-2-carboxylate
CID 57067780
tert-butyl (2S,3S)-1-[(4-methoxyphenyl)methyl]-4-oxo-3-[(1R)-1-prop-2-enoxycarbonyloxyethyl]azetidine-2-carboxylate
CID 18604780
benzyl 1-[2-(1-hydroxy-2-methyl-3-phenylbutan-2-yl)-4-oxoazetidin-3-yl]ethyl carbonate
CID 74001429
(4-methoxyphenyl)methyl 2-amino-3-phenylpropanoate
CID 14760384
[(2R,3R)-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-3-(1-hydroxyethyl)-4-oxoazetidin-2-yl] acetate
CID 70409868
benzyl [(1R)-1-[(2S,3S)-2-(1-hydroxypropan-2-yl)-4-oxoazetidin-3-yl]ethyl] carbonate
CID 70460094

Frequently Asked Questions

What is the IUPAC name of benzyl [(1R)-1-[(3S,4S)-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-2-oxo-4-(2,2,5-trimethyl-5-silyloxyhex-3-en-3-yl)azetidin-3-yl]ethyl] carbonate?
The IUPAC name of benzyl [(1R)-1-[(3S,4S)-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-2-oxo-4-(2,2,5-trimethyl-5-silyloxyhex-3-en-3-yl)azetidin-3-yl]ethyl] carbonate (CID 154317029) is benzyl [(1R)-1-[(3S,4S)-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-2-oxo-4-(2,2,5-trimethyl-5-silyloxyhex-3-en-3-yl)azetidin-3-yl]ethyl] carbonate.
What is the SMILES notation for benzyl [(1R)-1-[(3S,4S)-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-2-oxo-4-(2,2,5-trimethyl-5-silyloxyhex-3-en-3-yl)azetidin-3-yl]ethyl] carbonate?
The canonical SMILES for benzyl [(1R)-1-[(3S,4S)-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-2-oxo-4-(2,2,5-trimethyl-5-silyloxyhex-3-en-3-yl)azetidin-3-yl]ethyl] carbonate is COc1ccc(CC(Cc2ccc(OC)cc2)N2C(=O)[C@H]([C@@H](C)OC(=O)OCc3ccccc3)[C@H]2C(=CC(C)(C)O[SiH3])C(C)(C)C)cc1.
What is the InChIKey of benzyl [(1R)-1-[(3S,4S)-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-2-oxo-4-(2,2,5-trimethyl-5-silyloxyhex-3-en-3-yl)azetidin-3-yl]ethyl] carbonate?
The InChIKey is HRVGNGJAMUQJBV-DTTZNNBASA-N. The full InChI is InChI=1S/C39H51NO7Si/c1-26(46-37(42)45-25-29-12-10-9-11-13-29)34-35(33(38(2,3)4)24-39(5,6)47-48)40(36(34)41)30(22-27-14-18-31(43-7)19-15-27)23-28-16-20-32(44-8)21-17-28/h9-21,24,26,30,34-35H,22-23,25H2,1-8,48H3/t26-,34-,35-/m1/s1.
What are the key properties of benzyl [(1R)-1-[(3S,4S)-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-2-oxo-4-(2,2,5-trimethyl-5-silyloxyhex-3-en-3-yl)azetidin-3-yl]ethyl] carbonate?
benzyl [(1R)-1-[(3S,4S)-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-2-oxo-4-(2,2,5-trimethyl-5-silyloxyhex-3-en-3-yl)azetidin-3-yl]ethyl] carbonate has a molecular weight of 673.92 g/mol, XLogP of 6.47, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl [(1R)-1-[(3S,4S)-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-2-oxo-4-(2,2,5-trimethyl-5-silyloxyhex-3-en-3-yl)azetidin-3-yl]ethyl] carbonate is sourced from PubChem (CID 154317029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).