methyl 1-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]cyclohexane-1-carboxylate

C31H43NO4Si — CID 59701349

IUPACmethyl 1-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)C2CCCC(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C2)CCCCC1
InChIInChI=1S/C31H43NO4Si/c1-30(2,3)37(26-17-8-5-9-18-26,27-19-10-6-11-20-27)36-25-16-14-15-24(23-25)28(33)32-31(29(34)35-4)21-12-7-13-22-31/h5-6,8-11,17-20,24-25H,7,12-16,21-23H2,1-4H3,(H,32,33)
InChIKeyZEIXSGAXDMUNAS-UHFFFAOYSA-N
MW521.77 g/mol
LogP5.11
Rot. Bonds7

About methyl 1-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]cyclohexane-1-carboxylate

methyl 1-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]cyclohexane-1-carboxylate (PubChem CID 59701349) has the molecular formula C31H43NO4Si and a molecular weight of 521.77 g/mol. Its IUPAC name is methyl 1-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]cyclohexane-1-carboxylate
PubChem CID59701349
Molecular FormulaC31H43NO4Si
Molecular Weight521.77 g/mol
Exact Mass521.30
IUPAC Namemethyl 1-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)C2CCCC(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C2)CCCCC1
InChIInChI=1S/C31H43NO4Si/c1-30(2,3)37(26-17-8-5-9-18-26,27-19-10-6-11-20-27)36-25-16-14-15-24(23-25)28(33)32-31(29(34)35-4)21-12-7-13-22-31/h5-6,8-11,17-20,24-25H,7,12-16,21-23H2,1-4H3,(H,32,33)
InChIKeyZEIXSGAXDMUNAS-UHFFFAOYSA-N
XLogP5.11
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.77
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 1-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]cyclohexane-1-carboxylate with MolForge

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Related Compounds

Tert-butyl 2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]acetate
CID 58800370
tert-butyl (2S)-2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]-3-methylbutanoate
CID 58800371
tert-butyl (2S)-2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]-methylamino]-3-methylbutanoate
CID 59701356
tert-butyl 2-[[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]-methylamino]-3-methylbutanoate
CID 69315149
tert-butyl 2-[[(1R,3S)-3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]-3-methylbutanoate
CID 69439669
tert-butyl (2S)-2-[[(1R,3S)-3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]-3-methylbutanoate
CID 69439671
Tert-butyl 2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]pentanoate
CID 69492726
Tert-butyl 2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]-2-methylbutanoate
CID 69492727
tert-butyl (2S)-2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]-3-methylbutanoate;tert-butyl (2S)-2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]-methylamino]-3-methylbutanoate
CID 157578276
tert-butyl (2S)-2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]-3-methylbutanoate;methyl 3-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carboxylate
CID 159200815
tert-butyl (2S)-2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]-3-methylbutanoate;tert-butyl (2S)-2-[(3-hydroxycyclohexanecarbonyl)amino]-3-methylbutanoate
CID 159244402
Tert-butyl 2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]acetate;methyl 3-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carboxylate
CID 159756326

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]cyclohexane-1-carboxylate (CID 59701349) is methyl 1-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]cyclohexane-1-carboxylate is COC(=O)C1(NC(=O)C2CCCC(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C2)CCCCC1.
What is the InChIKey of methyl 1-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]cyclohexane-1-carboxylate?
The InChIKey is ZEIXSGAXDMUNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43NO4Si/c1-30(2,3)37(26-17-8-5-9-18-26,27-19-10-6-11-20-27)36-25-16-14-15-24(23-25)28(33)32-31(29(34)35-4)21-12-7-13-22-31/h5-6,8-11,17-20,24-25H,7,12-16,21-23H2,1-4H3,(H,32,33).
What are the key properties of methyl 1-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]cyclohexane-1-carboxylate?
methyl 1-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]cyclohexane-1-carboxylate has a molecular weight of 521.77 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 59701349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).