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

C25H35NO3Si — CID 89407420

IUPAC4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylcyclohexane-1-carboxamide
SMILESCON(C)C(=O)C1CCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C25H35NO3Si/c1-25(2,3)30(22-12-8-6-9-13-22,23-14-10-7-11-15-23)29-21-18-16-20(17-19-21)24(27)26(4)28-5/h6-15,20-21H,16-19H2,1-5H3
InChIKeySNROPVCLBIHBID-UHFFFAOYSA-N
MW425.65 g/mol
LogP4.14
Rot. Bonds6

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

4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylcyclohexane-1-carboxamide (PubChem CID 89407420) has the molecular formula C25H35NO3Si and a molecular weight of 425.65 g/mol. Its IUPAC name is 4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylcyclohexane-1-carboxamide
PubChem CID89407420
Molecular FormulaC25H35NO3Si
Molecular Weight425.65 g/mol
Exact Mass425.24
IUPAC Name4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylcyclohexane-1-carboxamide
SMILESCON(C)C(=O)C1CCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C25H35NO3Si/c1-25(2,3)30(22-12-8-6-9-13-22,23-14-10-7-11-15-23)29-21-18-16-20(17-19-21)24(27)26(4)28-5/h6-15,20-21H,16-19H2,1-5H3
InChIKeySNROPVCLBIHBID-UHFFFAOYSA-N
XLogP4.14
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.65
LogP ≤ 54.14
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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Related Compounds

1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2-chloroethanone
CID 88611275
propan-2-yl 4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carboxylate
CID 71016910
benzene;N-methoxy-N-methylcyclopropanecarboxamide
CID 170770192
3-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-3-oxopropanenitrile
CID 171719158
tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[methoxy(methyl)carbamoyl]pyrrolidine-1-carboxylate
CID 155630213
cis-methyl (3S,5R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]cyclohexane-1-carboxylate
CID 58715061
methyl 3,5-bis[[tert-butyl(diphenyl)silyl]oxy]cyclohexane-1-carboxylate
CID 21062599
1-O-tert-butyl 2-O-methyl (1R,2S,4S)-4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1,2-dicarboxylate
CID 162424135
tert-butyl 2-[[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]-methylamino]-3-methylbutanoate
CID 69315149
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
CID 153312960
trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
CID 170904665
3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylcyclohexane-1-carboxamide (CID 89407420) is 4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylcyclohexane-1-carboxamide is CON(C)C(=O)C1CCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1.
What is the InChIKey of 4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylcyclohexane-1-carboxamide?
The InChIKey is SNROPVCLBIHBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO3Si/c1-25(2,3)30(22-12-8-6-9-13-22,23-14-10-7-11-15-23)29-21-18-16-20(17-19-21)24(27)26(4)28-5/h6-15,20-21H,16-19H2,1-5H3.
What are the key properties of 4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylcyclohexane-1-carboxamide?
4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylcyclohexane-1-carboxamide has a molecular weight of 425.65 g/mol, XLogP of 4.14, 6 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]oxy-N-methoxy-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 89407420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).