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

C58H92N4O5Si4Sn — CID 167690680

IUPACbis[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
SMILESC=C(C(=O)OCC)[C@@H](Nc1cc(C)c(C)c(OC)c1)c1ccc(C(C)C)cc1.C=C1C(=O)N(c2cc(C)c(C)c(OC)c2)[C@H]1c1ccc(C(C)C)cc1.C[Si](C)(C)N([Sn]N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C24H31NO3.C22H25NO2.2C6H18NSi2.Sn/c1-8-28-24(26)18(6)23(20-11-9-19(10-12-20)15(2)3)25-21-13-16(4)17(5)22(14-21)27-7;1-13(2)17-7-9-18(10-8-17)21-16(5)22(24)23(21)19-11-14(3)15(4)20(12-19)25-6;2*1-8(2,3)7-9(4,5)6;/h9-15,23,25H,6,8H2,1-5,7H3;7-13,21H,5H2,1-4,6H3;2*1-6H3;/q;;2*-1;+2/t23-;21-;;;/m11.../s1
InChIKeyWWYAUJVLLFZIER-HTTSYCHGSA-N
MW1156.45 g/mol
LogP15.25
Rot. Bonds18

About 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

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 (PubChem CID 167690680) has the molecular formula C58H92N4O5Si4Sn and a molecular weight of 1156.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebis[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
PubChem CID167690680
Molecular FormulaC58H92N4O5Si4Sn
Molecular Weight1156.45 g/mol
Exact Mass1156.52
IUPAC Namebis[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
SMILESC=C(C(=O)OCC)[C@@H](Nc1cc(C)c(C)c(OC)c1)c1ccc(C(C)C)cc1.C=C1C(=O)N(c2cc(C)c(C)c(OC)c2)[C@H]1c1ccc(C(C)C)cc1.C[Si](C)(C)N([Sn]N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C24H31NO3.C22H25NO2.2C6H18NSi2.Sn/c1-8-28-24(26)18(6)23(20-11-9-19(10-12-20)15(2)3)25-21-13-16(4)17(5)22(14-21)27-7;1-13(2)17-7-9-18(10-8-17)21-16(5)22(24)23(21)19-11-14(3)15(4)20(12-19)25-6;2*1-8(2,3)7-9(4,5)6;/h9-15,23,25H,6,8H2,1-5,7H3;7-13,21H,5H2,1-4,6H3;2*1-6H3;/q;;2*-1;+2/t23-;21-;;;/m11.../s1
InChIKeyWWYAUJVLLFZIER-HTTSYCHGSA-N
XLogP15.25
TPSA83.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001156.45
LogP ≤ 515.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C(C(=O)OCC)[C@@H](Nc1cc(C)c(C)c(OC)c1)c1ccc(C(C)C)cc1.C=C1C(=O)N(c2cc(C)c(C)c(OC)c2)[C@H]1c1ccc(C(C)C)cc1.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;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?
The InChIKey is WWYAUJVLLFZIER-HTTSYCHGSA-N. The full InChI is InChI=1S/C24H31NO3.C22H25NO2.2C6H18NSi2.Sn/c1-8-28-24(26)18(6)23(20-11-9-19(10-12-20)15(2)3)25-21-13-16(4)17(5)22(14-21)27-7;1-13(2)17-7-9-18(10-8-17)21-16(5)22(24)23(21)19-11-14(3)15(4)20(12-19)25-6;2*1-8(2,3)7-9(4,5)6;/h9-15,23,25H,6,8H2,1-5,7H3;7-13,21H,5H2,1-4,6H3;2*1-6H3;/q;;2*-1;+2/t23-;21-;;;/m11.../s1.
What are the key properties of 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?
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 has a molecular weight of 1156.45 g/mol, XLogP of 15.25, 18 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167690680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).