bis[bis(trimethylsilyl)amino]tin;4-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-1-(2-methoxy-4-methylphenyl)-3-methylideneazetidin-2-one;ethyl 2-[(S)-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-(2-methoxy-4-methylanilino)methyl]prop-2-enoate

C64H108N4O7Si6Sn — CID 158660941

IUPACbis[bis(trimethylsilyl)amino]tin;4-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-1-(2-methoxy-4-methylphenyl)-3-methylideneazetidin-2-one;ethyl 2-[(S)-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-(2-methoxy-4-methylanilino)methyl]prop-2-enoate
SMILESC=C(C(=O)OCC)[C@@H](Nc1ccc(C)cc1OC)c1ccc(C)c(O[Si](C)(C)C(C)(C)C)c1.C=C1C(=O)N(c2ccc(C)cc2OC)C1c1ccc(C)c(O[Si](C)(C)C(C)(C)C)c1.C[Si](C)(C)N([Sn]N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C27H39NO4Si.C25H33NO3Si.2C6H18NSi2.Sn/c1-11-31-26(29)20(4)25(28-22-15-12-18(2)16-24(22)30-8)21-14-13-19(3)23(17-21)32-33(9,10)27(5,6)7;1-16-10-13-20(22(14-16)28-7)26-23(18(3)24(26)27)19-12-11-17(2)21(15-19)29-30(8,9)25(4,5)6;2*1-8(2,3)7-9(4,5)6;/h12-17,25,28H,4,11H2,1-3,5-10H3;10-15,23H,3H2,1-2,4-9H3;2*1-6H3;/q;;2*-1;+2/t25-;;;;/m1..../s1
InChIKeyICTDQVZUURIWPG-WKQODEDXSA-N
MW1332.82 g/mol
LogP17.77
Rot. Bonds20

About bis[bis(trimethylsilyl)amino]tin;4-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-1-(2-methoxy-4-methylphenyl)-3-methylideneazetidin-2-one;ethyl 2-[(S)-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-(2-methoxy-4-methylanilino)methyl]prop-2-enoate

bis[bis(trimethylsilyl)amino]tin;4-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-1-(2-methoxy-4-methylphenyl)-3-methylideneazetidin-2-one;ethyl 2-[(S)-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-(2-methoxy-4-methylanilino)methyl]prop-2-enoate (PubChem CID 158660941) has the molecular formula C64H108N4O7Si6Sn and a molecular weight of 1332.82 g/mol. Its IUPAC name is bis[bis(trimethylsilyl)amino]tin;4-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-1-(2-methoxy-4-methylphenyl)-3-methylideneazetidin-2-one;ethyl 2-[(S)-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-(2-methoxy-4-methylanilino)methyl]prop-2-enoate.

Molecular Properties

Compound Namebis[bis(trimethylsilyl)amino]tin;4-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-1-(2-methoxy-4-methylphenyl)-3-methylideneazetidin-2-one;ethyl 2-[(S)-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-(2-methoxy-4-methylanilino)methyl]prop-2-enoate
PubChem CID158660941
Molecular FormulaC64H108N4O7Si6Sn
Molecular Weight1332.82 g/mol
Exact Mass1332.59
IUPAC Namebis[bis(trimethylsilyl)amino]tin;4-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-1-(2-methoxy-4-methylphenyl)-3-methylideneazetidin-2-one;ethyl 2-[(S)-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-(2-methoxy-4-methylanilino)methyl]prop-2-enoate
SMILESC=C(C(=O)OCC)[C@@H](Nc1ccc(C)cc1OC)c1ccc(C)c(O[Si](C)(C)C(C)(C)C)c1.C=C1C(=O)N(c2ccc(C)cc2OC)C1c1ccc(C)c(O[Si](C)(C)C(C)(C)C)c1.C[Si](C)(C)N([Sn]N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C27H39NO4Si.C25H33NO3Si.2C6H18NSi2.Sn/c1-11-31-26(29)20(4)25(28-22-15-12-18(2)16-24(22)30-8)21-14-13-19(3)23(17-21)32-33(9,10)27(5,6)7;1-16-10-13-20(22(14-16)28-7)26-23(18(3)24(26)27)19-12-11-17(2)21(15-19)29-30(8,9)25(4,5)6;2*1-8(2,3)7-9(4,5)6;/h12-17,25,28H,4,11H2,1-3,5-10H3;10-15,23H,3H2,1-2,4-9H3;2*1-6H3;/q;;2*-1;+2/t25-;;;;/m1..../s1
InChIKeyICTDQVZUURIWPG-WKQODEDXSA-N
XLogP17.77
TPSA102.04 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001332.82
LogP ≤ 517.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze bis[bis(trimethylsilyl)amino]tin;4-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-1-(2-methoxy-4-methylphenyl)-3-methylideneazetidin-2-one;ethyl 2-[(S)-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-(2-methoxy-4-methylanilino)methyl]prop-2-enoate with MolForge

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Related Compounds

bis[bis(trimethylsilyl)amino]tin;ethyl 2-[(S)-(3-methoxy-4,5-dimethylanilino)-(4-propan-2-ylphenyl)methyl]prop-2-enoate;(4S)-1-(3-methoxy-4,5-dimethylphenyl)-3-methylidene-4-(4-propan-2-ylphenyl)azetidin-2-one
CID 167690680
(4S)-4-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]-3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 141493340
1-(2,4-dimethylphenyl)-2-(3-ethoxy-4-methoxyphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108704586
ethyl 2-[(S)-(3-fluoro-4-methoxyphenyl)-(3,4,5-trimethoxyanilino)methyl]prop-2-enoate
CID 131974505
(4Z)-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-1-(2,5-dimethylphenyl)-5-(3-ethoxy-4-methoxyphenyl)pyrrolidine-2,3-dione
CID 108704033
1-(2,3-dimethylphenyl)-2-(3-ethoxy-4-methoxyphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108704151
3-(tert-butylamino)-N-(2-methoxy-4-methylphenyl)propanamide
CID 54863187
(7S)-N-(2,4-dimethylphenyl)-7-(3-ethoxy-4-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136836199
(4E)-4-[(2,6-dimethoxyphenyl)-hydroxymethylidene]-1-(2,5-dimethylphenyl)-5-(3-ethoxy-4-methoxyphenyl)pyrrolidine-2,3-dione
CID 108704069
(4Z)-4-[(3-bromo-4-methoxyphenyl)-hydroxymethylidene]-1-(2,5-dimethylphenyl)-5-(3-ethoxy-4-methoxyphenyl)pyrrolidine-2,3-dione
CID 108704087
2-amino-N-(2-ethoxy-4-methylphenyl)-3,3-dimethylbutanamide
CID 76888007
(4E)-1-(2,4-dimethylphenyl)-5-(3-ethoxy-4-methoxyphenyl)-4-[hydroxy-(4-methoxy-2,5-dimethylphenyl)methylidene]pyrrolidine-2,3-dione
CID 108704610

Frequently Asked Questions

What is the IUPAC name of bis[bis(trimethylsilyl)amino]tin;4-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-1-(2-methoxy-4-methylphenyl)-3-methylideneazetidin-2-one;ethyl 2-[(S)-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-(2-methoxy-4-methylanilino)methyl]prop-2-enoate?
The IUPAC name of bis[bis(trimethylsilyl)amino]tin;4-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-1-(2-methoxy-4-methylphenyl)-3-methylideneazetidin-2-one;ethyl 2-[(S)-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-(2-methoxy-4-methylanilino)methyl]prop-2-enoate (CID 158660941) is bis[bis(trimethylsilyl)amino]tin;4-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-1-(2-methoxy-4-methylphenyl)-3-methylideneazetidin-2-one;ethyl 2-[(S)-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-(2-methoxy-4-methylanilino)methyl]prop-2-enoate.
What is the SMILES notation for bis[bis(trimethylsilyl)amino]tin;4-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-1-(2-methoxy-4-methylphenyl)-3-methylideneazetidin-2-one;ethyl 2-[(S)-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-(2-methoxy-4-methylanilino)methyl]prop-2-enoate?
The canonical SMILES for bis[bis(trimethylsilyl)amino]tin;4-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-1-(2-methoxy-4-methylphenyl)-3-methylideneazetidin-2-one;ethyl 2-[(S)-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-(2-methoxy-4-methylanilino)methyl]prop-2-enoate is C=C(C(=O)OCC)[C@@H](Nc1ccc(C)cc1OC)c1ccc(C)c(O[Si](C)(C)C(C)(C)C)c1.C=C1C(=O)N(c2ccc(C)cc2OC)C1c1ccc(C)c(O[Si](C)(C)C(C)(C)C)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;4-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-1-(2-methoxy-4-methylphenyl)-3-methylideneazetidin-2-one;ethyl 2-[(S)-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-(2-methoxy-4-methylanilino)methyl]prop-2-enoate?
The InChIKey is ICTDQVZUURIWPG-WKQODEDXSA-N. The full InChI is InChI=1S/C27H39NO4Si.C25H33NO3Si.2C6H18NSi2.Sn/c1-11-31-26(29)20(4)25(28-22-15-12-18(2)16-24(22)30-8)21-14-13-19(3)23(17-21)32-33(9,10)27(5,6)7;1-16-10-13-20(22(14-16)28-7)26-23(18(3)24(26)27)19-12-11-17(2)21(15-19)29-30(8,9)25(4,5)6;2*1-8(2,3)7-9(4,5)6;/h12-17,25,28H,4,11H2,1-3,5-10H3;10-15,23H,3H2,1-2,4-9H3;2*1-6H3;/q;;2*-1;+2/t25-;;;;/m1..../s1.
What are the key properties of bis[bis(trimethylsilyl)amino]tin;4-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-1-(2-methoxy-4-methylphenyl)-3-methylideneazetidin-2-one;ethyl 2-[(S)-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-(2-methoxy-4-methylanilino)methyl]prop-2-enoate?
bis[bis(trimethylsilyl)amino]tin;4-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-1-(2-methoxy-4-methylphenyl)-3-methylideneazetidin-2-one;ethyl 2-[(S)-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-(2-methoxy-4-methylanilino)methyl]prop-2-enoate has a molecular weight of 1332.82 g/mol, XLogP of 17.77, 20 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis[bis(trimethylsilyl)amino]tin;4-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-1-(2-methoxy-4-methylphenyl)-3-methylideneazetidin-2-one;ethyl 2-[(S)-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-(2-methoxy-4-methylanilino)methyl]prop-2-enoate is sourced from PubChem (CID 158660941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).