bis[bis(trimethylsilyl)amino]tin;methyl 5-[(1S)-2-ethoxycarbonyl-1-(3-methoxy-4,5-dimethylanilino)prop-2-enyl]-2-methylbenzoate;methyl 5-[(2S)-1-(3-methoxy-4,5-dimethylphenyl)-3-methylidene-4-oxoazetidin-2-yl]-2-methylbenzoate

C58H88N4O9Si4Sn — CID 159382249

About bis[bis(trimethylsilyl)amino]tin;methyl 5-[(1S)-2-ethoxycarbonyl-1-(3-methoxy-4,5-dimethylanilino)prop-2-enyl]-2-methylbenzoate;methyl 5-[(2S)-1-(3-methoxy-4,5-dimethylphenyl)-3-methylidene-4-oxoazetidin-2-yl]-2-methylbenzoate

bis[bis(trimethylsilyl)amino]tin;methyl 5-[(1S)-2-ethoxycarbonyl-1-(3-methoxy-4,5-dimethylanilino)prop-2-enyl]-2-methylbenzoate;methyl 5-[(2S)-1-(3-methoxy-4,5-dimethylphenyl)-3-methylidene-4-oxoazetidin-2-yl]-2-methylbenzoate (PubChem CID 159382249) has the molecular formula C58H88N4O9Si4Sn and a molecular weight of 1216.42 g/mol. Its IUPAC name is bis[bis(trimethylsilyl)amino]tin;methyl 5-[(1S)-2-ethoxycarbonyl-1-(3-methoxy-4,5-dimethylanilino)prop-2-enyl]-2-methylbenzoate;methyl 5-[(2S)-1-(3-methoxy-4,5-dimethylphenyl)-3-methylidene-4-oxoazetidin-2-yl]-2-methylbenzoate.

Molecular Properties

• Compound Name: bis[bis(trimethylsilyl)amino]tin;methyl 5-[(1S)-2-ethoxycarbonyl-1-(3-methoxy-4,5-dimethylanilino)prop-2-enyl]-2-methylbenzoate;methyl 5-[(2S)-1-(3-methoxy-4,5-dimethylphenyl)-3-methylidene-4-oxoazetidin-2-yl]-2-methylbenzoate
• PubChem CID: 159382249
• Molecular Formula: C58H88N4O9Si4Sn
• Molecular Weight: 1216.42 g/mol
• Exact Mass: 1216.47
• IUPAC Name: bis[bis(trimethylsilyl)amino]tin;methyl 5-[(1S)-2-ethoxycarbonyl-1-(3-methoxy-4,5-dimethylanilino)prop-2-enyl]-2-methylbenzoate;methyl 5-[(2S)-1-(3-methoxy-4,5-dimethylphenyl)-3-methylidene-4-oxoazetidin-2-yl]-2-methylbenzoate
• SMILES: C=C(C(=O)OCC)[C@@H](Nc1cc(C)c(C)c(OC)c1)c1ccc(C)c(C(=O)OC)c1.C=C1C(=O)N(c2cc(C)c(C)c(OC)c2)[C@H]1c1ccc(C)c(C(=O)OC)c1.C[Si](C)(C)N([Sn]N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C
• InChI: InChI=1S/C24H29NO5.C22H23NO4.2C6H18NSi2.Sn/c1-8-30-23(26)17(5)22(18-10-9-14(2)20(12-18)24(27)29-7)25-19-11-15(3)16(4)21(13-19)28-6;1-12-7-8-16(10-18(12)22(25)27-6)20-15(4)21(24)23(20)17-9-13(2)14(3)19(11-17)26-5;2*1-8(2,3)7-9(4,5)6;/h9-13,22,25H,5,8H2,1-4,6-7H3;7-11,20H,4H2,1-3,5-6H3;2*1-6H3;/q;;2*-1;+2/t22-;20-;;;/m11.../s1
• InChIKey: LLBFVARWJYGFHQ-VBUVAXLOSA-N
• XLogP: 13.19
• TPSA: 136.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1216.42
LogP ≤ 5	13.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis[bis(trimethylsilyl)amino]tin;methyl 5-[(1S)-2-ethoxycarbonyl-1-(3-methoxy-4,5-dimethylanilino)prop-2-enyl]-2-methylbenzoate;methyl 5-[(2S)-1-(3-methoxy-4,5-dimethylphenyl)-3-methylidene-4-oxoazetidin-2-yl]-2-methylbenzoate?

The IUPAC name of bis[bis(trimethylsilyl)amino]tin;methyl 5-[(1S)-2-ethoxycarbonyl-1-(3-methoxy-4,5-dimethylanilino)prop-2-enyl]-2-methylbenzoate;methyl 5-[(2S)-1-(3-methoxy-4,5-dimethylphenyl)-3-methylidene-4-oxoazetidin-2-yl]-2-methylbenzoate (CID 159382249) is bis[bis(trimethylsilyl)amino]tin;methyl 5-[(1S)-2-ethoxycarbonyl-1-(3-methoxy-4,5-dimethylanilino)prop-2-enyl]-2-methylbenzoate;methyl 5-[(2S)-1-(3-methoxy-4,5-dimethylphenyl)-3-methylidene-4-oxoazetidin-2-yl]-2-methylbenzoate.

What is the SMILES notation for bis[bis(trimethylsilyl)amino]tin;methyl 5-[(1S)-2-ethoxycarbonyl-1-(3-methoxy-4,5-dimethylanilino)prop-2-enyl]-2-methylbenzoate;methyl 5-[(2S)-1-(3-methoxy-4,5-dimethylphenyl)-3-methylidene-4-oxoazetidin-2-yl]-2-methylbenzoate?

The canonical SMILES for bis[bis(trimethylsilyl)amino]tin;methyl 5-[(1S)-2-ethoxycarbonyl-1-(3-methoxy-4,5-dimethylanilino)prop-2-enyl]-2-methylbenzoate;methyl 5-[(2S)-1-(3-methoxy-4,5-dimethylphenyl)-3-methylidene-4-oxoazetidin-2-yl]-2-methylbenzoate is C=C(C(=O)OCC)[C@@H](Nc1cc(C)c(C)c(OC)c1)c1ccc(C)c(C(=O)OC)c1.C=C1C(=O)N(c2cc(C)c(C)c(OC)c2)[C@H]1c1ccc(C)c(C(=O)OC)c1.C[Si](C)(C)N([Sn]N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C.

What is the InChIKey of bis[bis(trimethylsilyl)amino]tin;methyl 5-[(1S)-2-ethoxycarbonyl-1-(3-methoxy-4,5-dimethylanilino)prop-2-enyl]-2-methylbenzoate;methyl 5-[(2S)-1-(3-methoxy-4,5-dimethylphenyl)-3-methylidene-4-oxoazetidin-2-yl]-2-methylbenzoate?

The InChIKey is LLBFVARWJYGFHQ-VBUVAXLOSA-N. The full InChI is InChI=1S/C24H29NO5.C22H23NO4.2C6H18NSi2.Sn/c1-8-30-23(26)17(5)22(18-10-9-14(2)20(12-18)24(27)29-7)25-19-11-15(3)16(4)21(13-19)28-6;1-12-7-8-16(10-18(12)22(25)27-6)20-15(4)21(24)23(20)17-9-13(2)14(3)19(11-17)26-5;2*1-8(2,3)7-9(4,5)6;/h9-13,22,25H,5,8H2,1-4,6-7H3;7-11,20H,4H2,1-3,5-6H3;2*1-6H3;/q;;2*-1;+2/t22-;20-;;;/m11.../s1.

What are the key properties of bis[bis(trimethylsilyl)amino]tin;methyl 5-[(1S)-2-ethoxycarbonyl-1-(3-methoxy-4,5-dimethylanilino)prop-2-enyl]-2-methylbenzoate;methyl 5-[(2S)-1-(3-methoxy-4,5-dimethylphenyl)-3-methylidene-4-oxoazetidin-2-yl]-2-methylbenzoate?

bis[bis(trimethylsilyl)amino]tin;methyl 5-[(1S)-2-ethoxycarbonyl-1-(3-methoxy-4,5-dimethylanilino)prop-2-enyl]-2-methylbenzoate;methyl 5-[(2S)-1-(3-methoxy-4,5-dimethylphenyl)-3-methylidene-4-oxoazetidin-2-yl]-2-methylbenzoate has a molecular weight of 1216.42 g/mol, XLogP of 13.19, 18 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for bis[bis(trimethylsilyl)amino]tin;methyl 5-[(1S)-2-ethoxycarbonyl-1-(3-methoxy-4,5-dimethylanilino)prop-2-enyl]-2-methylbenzoate;methyl 5-[(2S)-1-(3-methoxy-4,5-dimethylphenyl)-3-methylidene-4-oxoazetidin-2-yl]-2-methylbenzoate is sourced from PubChem (CID 159382249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).