(3R,5R,7R)-7-[tert-butyl(diphenyl)silyl]oxy-N,5-dimethoxy-N,3-dimethyldecanamide

C30H47NO4Si — CID 46844799

IUPAC(3R,5R,7R)-7-[tert-butyl(diphenyl)silyl]oxy-N,5-dimethoxy-N,3-dimethyldecanamide
SMILESCCC[C@H](C[C@@H](C[C@@H](C)CC(=O)N(C)OC)OC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H47NO4Si/c1-9-16-25(23-26(33-7)21-24(2)22-29(32)31(6)34-8)35-36(30(3,4)5,27-17-12-10-13-18-27)28-19-14-11-15-20-28/h10-15,17-20,24-26H,9,16,21-23H2,1-8H3/t24-,25-,26-/m1/s1
InChIKeySCTNWGZDWASWHT-TWJOJJKGSA-N
MW513.80 g/mol
LogP5.57
Rot. Bonds14

About (3R,5R,7R)-7-[tert-butyl(diphenyl)silyl]oxy-N,5-dimethoxy-N,3-dimethyldecanamide

(3R,5R,7R)-7-[tert-butyl(diphenyl)silyl]oxy-N,5-dimethoxy-N,3-dimethyldecanamide (PubChem CID 46844799) has the molecular formula C30H47NO4Si and a molecular weight of 513.80 g/mol. Its IUPAC name is (3R,5R,7R)-7-[tert-butyl(diphenyl)silyl]oxy-N,5-dimethoxy-N,3-dimethyldecanamide.

Molecular Properties

Compound Name(3R,5R,7R)-7-[tert-butyl(diphenyl)silyl]oxy-N,5-dimethoxy-N,3-dimethyldecanamide
PubChem CID46844799
Molecular FormulaC30H47NO4Si
Molecular Weight513.80 g/mol
Exact Mass513.33
IUPAC Name(3R,5R,7R)-7-[tert-butyl(diphenyl)silyl]oxy-N,5-dimethoxy-N,3-dimethyldecanamide
SMILESCCC[C@H](C[C@@H](C[C@@H](C)CC(=O)N(C)OC)OC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H47NO4Si/c1-9-16-25(23-26(33-7)21-24(2)22-29(32)31(6)34-8)35-36(30(3,4)5,27-17-12-10-13-18-27)28-19-14-11-15-20-28/h10-15,17-20,24-26H,9,16,21-23H2,1-8H3/t24-,25-,26-/m1/s1
InChIKeySCTNWGZDWASWHT-TWJOJJKGSA-N
XLogP5.57
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.80
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R,5R,7R)-7-[tert-butyl(diphenyl)silyl]oxy-N,5-dimethoxy-N,3-dimethyldecanamide with MolForge

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Launch Full Analysis

Related Compounds

7-(tert-Butyl-diphenyl-silanyloxy)-5-hydroxy-3-methyl-decanoic acid methoxy-methyl-amide
CID 46844244
(2R,5R)-5-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-N-methoxy-N,5-dimethyloxolane-2-carboxamide
CID 102083279
(3R,5S)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,3-dimethyl-5-triethylsilyloxy-3-trimethylsilyloxyhexanamide
CID 134958709
(3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,4-dimethyl-3-(2-prop-1-en-2-ylphenyl)pentanamide
CID 139255785
(4R)-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-oxooxolan-2-yl]-N-methoxy-N,2,4-trimethylhexanamide
CID 58077852
(4R)-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2,4-trimethylhexanamide
CID 58077855
trans-4-[(tert-Butyldiphenylsilyloxy)methyl]-N-methoxy-N-methylcyclohexanecarboxamide
CID 86726612
(2R)-6-[(2S,5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2,4-trimethylhexanamide
CID 88555861
(2R)-6-[(2S)-5-[5-[hydroxy(diphenyl)silyl]-5-methylhexyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2-dimethylhexanamide
CID 89180528
4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylcyclohexane-1-carboxamide
CID 89407420
3-[[(1,1-Dimethylethyl)diphenylsilyl]oxy]-N-methoxy-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 123599473
2-[3-[tert-butyl(diphenyl)silyl]oxycyclobutyl]-N-methoxy-N-methylacetamide
CID 140196486

Frequently Asked Questions

What is the IUPAC name of (3R,5R,7R)-7-[tert-butyl(diphenyl)silyl]oxy-N,5-dimethoxy-N,3-dimethyldecanamide?
The IUPAC name of (3R,5R,7R)-7-[tert-butyl(diphenyl)silyl]oxy-N,5-dimethoxy-N,3-dimethyldecanamide (CID 46844799) is (3R,5R,7R)-7-[tert-butyl(diphenyl)silyl]oxy-N,5-dimethoxy-N,3-dimethyldecanamide.
What is the SMILES notation for (3R,5R,7R)-7-[tert-butyl(diphenyl)silyl]oxy-N,5-dimethoxy-N,3-dimethyldecanamide?
The canonical SMILES for (3R,5R,7R)-7-[tert-butyl(diphenyl)silyl]oxy-N,5-dimethoxy-N,3-dimethyldecanamide is CCC[C@H](C[C@@H](C[C@@H](C)CC(=O)N(C)OC)OC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (3R,5R,7R)-7-[tert-butyl(diphenyl)silyl]oxy-N,5-dimethoxy-N,3-dimethyldecanamide?
The InChIKey is SCTNWGZDWASWHT-TWJOJJKGSA-N. The full InChI is InChI=1S/C30H47NO4Si/c1-9-16-25(23-26(33-7)21-24(2)22-29(32)31(6)34-8)35-36(30(3,4)5,27-17-12-10-13-18-27)28-19-14-11-15-20-28/h10-15,17-20,24-26H,9,16,21-23H2,1-8H3/t24-,25-,26-/m1/s1.
What are the key properties of (3R,5R,7R)-7-[tert-butyl(diphenyl)silyl]oxy-N,5-dimethoxy-N,3-dimethyldecanamide?
(3R,5R,7R)-7-[tert-butyl(diphenyl)silyl]oxy-N,5-dimethoxy-N,3-dimethyldecanamide has a molecular weight of 513.80 g/mol, XLogP of 5.57, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R,7R)-7-[tert-butyl(diphenyl)silyl]oxy-N,5-dimethoxy-N,3-dimethyldecanamide is sourced from PubChem (CID 46844799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).