4-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-methoxy-N-methylcyclohexane-1-carboxamide

C26H37NO3Si — CID 86726612

IUPAC4-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-methoxy-N-methylcyclohexane-1-carboxamide
SMILESCON(C)C(=O)C1CCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C26H37NO3Si/c1-26(2,3)31(23-12-8-6-9-13-23,24-14-10-7-11-15-24)30-20-21-16-18-22(19-17-21)25(28)27(4)29-5/h6-15,21-22H,16-20H2,1-5H3
InChIKeyXDUJNDOHGPPBFQ-UHFFFAOYSA-N
MW439.67 g/mol
LogP4.39
Rot. Bonds7

About 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-methoxy-N-methylcyclohexane-1-carboxamide

4-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-methoxy-N-methylcyclohexane-1-carboxamide (PubChem CID 86726612) has the molecular formula C26H37NO3Si and a molecular weight of 439.67 g/mol. Its IUPAC name is 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-methoxy-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-methoxy-N-methylcyclohexane-1-carboxamide
PubChem CID86726612
Molecular FormulaC26H37NO3Si
Molecular Weight439.67 g/mol
Exact Mass439.25
IUPAC Name4-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-methoxy-N-methylcyclohexane-1-carboxamide
SMILESCON(C)C(=O)C1CCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C26H37NO3Si/c1-26(2,3)31(23-12-8-6-9-13-23,24-14-10-7-11-15-24)30-20-21-16-18-22(19-17-21)25(28)27(4)29-5/h6-15,21-22H,16-20H2,1-5H3
InChIKeyXDUJNDOHGPPBFQ-UHFFFAOYSA-N
XLogP4.39
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.67
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-methoxy-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-methoxy-N-methylcyclohexane-1-carboxamide (CID 86726612) is 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-methoxy-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-methoxy-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-methoxy-N-methylcyclohexane-1-carboxamide is CON(C)C(=O)C1CCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1.
What is the InChIKey of 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-methoxy-N-methylcyclohexane-1-carboxamide?
The InChIKey is XDUJNDOHGPPBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37NO3Si/c1-26(2,3)31(23-12-8-6-9-13-23,24-14-10-7-11-15-24)30-20-21-16-18-22(19-17-21)25(28)27(4)29-5/h6-15,21-22H,16-20H2,1-5H3.
What are the key properties of 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-methoxy-N-methylcyclohexane-1-carboxamide?
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-methoxy-N-methylcyclohexane-1-carboxamide has a molecular weight of 439.67 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-methoxy-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 86726612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).