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

C29H45NO4Si — CID 46844244

IUPAC(3R,5R,7R)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N-methoxy-N,3-dimethyldecanamide
SMILESCCC[C@H](C[C@H](O)C[C@@H](C)CC(=O)N(C)OC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H45NO4Si/c1-8-15-25(22-24(31)20-23(2)21-28(32)30(6)33-7)34-35(29(3,4)5,26-16-11-9-12-17-26)27-18-13-10-14-19-27/h9-14,16-19,23-25,31H,8,15,20-22H2,1-7H3/t23-,24-,25-/m1/s1
InChIKeySIZSFSQFKFHUAQ-UBFVSLLYSA-N
MW499.77 g/mol
LogP4.92
Rot. Bonds13

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

(3R,5R,7R)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N-methoxy-N,3-dimethyldecanamide (PubChem CID 46844244) has the molecular formula C29H45NO4Si and a molecular weight of 499.77 g/mol. Its IUPAC name is (3R,5R,7R)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N-methoxy-N,3-dimethyldecanamide.

Molecular Properties

Compound Name(3R,5R,7R)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N-methoxy-N,3-dimethyldecanamide
PubChem CID46844244
Molecular FormulaC29H45NO4Si
Molecular Weight499.77 g/mol
Exact Mass499.31
IUPAC Name(3R,5R,7R)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N-methoxy-N,3-dimethyldecanamide
SMILESCCC[C@H](C[C@H](O)C[C@@H](C)CC(=O)N(C)OC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H45NO4Si/c1-8-15-25(22-24(31)20-23(2)21-28(32)30(6)33-7)34-35(29(3,4)5,26-16-11-9-12-17-26)27-18-13-10-14-19-27/h9-14,16-19,23-25,31H,8,15,20-22H2,1-7H3/t23-,24-,25-/m1/s1
InChIKeySIZSFSQFKFHUAQ-UBFVSLLYSA-N
XLogP4.92
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.77
LogP ≤ 54.92
H-Bond Donors ≤ 51
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-5-hydroxy-N-methoxy-N,3-dimethyldecanamide with MolForge

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Launch Full Analysis

Related Compounds

(3R)-3-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-3-hydroxy-N-methoxy-N-methylpropanamide
CID 17748182
7-(tert-Butyl-diphenyl-silanyloxy)-5-methoxy-3-methyl-decanoic acid methoxy-methyl-amide
CID 46844799
(2R,5R)-5-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-N-methoxy-N,5-dimethyloxolane-2-carboxamide
CID 102083279
4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylcyclohexane-1-carboxamide
CID 89407420
2-[3-[tert-butyl(diphenyl)silyl]oxycyclobutyl]-N-methoxy-N-methylacetamide
CID 140196486
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-methoxy-N-methylcyclohexane-1-carboxamide;4-(hydroxymethyl)-N-methoxy-N-methylcyclohexane-1-carboxamide
CID 160428990
4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylcyclohexane-1-carboxamide;4-hydroxy-N-methoxy-N-methylcyclohexane-1-carboxamide
CID 173773772
(2R,3R,4R,5R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-N-methoxy-N,2,4,6-tetramethylheptanamide
CID 10896388
(4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,4-dimethyl-5-triethylsilyloxyhexanamide
CID 11613771
(1R,6S)-6-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-N-methoxy-N-methylcyclohex-3-ene-1-carboxamide
CID 44235229
trans-(1R,2R)-2-[(1R)-7-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyheptyl]-N-methoxy-N-methylcyclopropane-1-carboxamide
CID 53247787
(5S)-6-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N-methoxy-N-methylhexanamide
CID 60169924

Frequently Asked Questions

What is the IUPAC name of (3R,5R,7R)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N-methoxy-N,3-dimethyldecanamide?
The IUPAC name of (3R,5R,7R)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N-methoxy-N,3-dimethyldecanamide (CID 46844244) is (3R,5R,7R)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N-methoxy-N,3-dimethyldecanamide.
What is the SMILES notation for (3R,5R,7R)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N-methoxy-N,3-dimethyldecanamide?
The canonical SMILES for (3R,5R,7R)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N-methoxy-N,3-dimethyldecanamide is CCC[C@H](C[C@H](O)C[C@@H](C)CC(=O)N(C)OC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (3R,5R,7R)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N-methoxy-N,3-dimethyldecanamide?
The InChIKey is SIZSFSQFKFHUAQ-UBFVSLLYSA-N. The full InChI is InChI=1S/C29H45NO4Si/c1-8-15-25(22-24(31)20-23(2)21-28(32)30(6)33-7)34-35(29(3,4)5,26-16-11-9-12-17-26)27-18-13-10-14-19-27/h9-14,16-19,23-25,31H,8,15,20-22H2,1-7H3/t23-,24-,25-/m1/s1.
What are the key properties of (3R,5R,7R)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N-methoxy-N,3-dimethyldecanamide?
(3R,5R,7R)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N-methoxy-N,3-dimethyldecanamide has a molecular weight of 499.77 g/mol, XLogP of 4.92, 13 rotatable bonds, 1 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-5-hydroxy-N-methoxy-N,3-dimethyldecanamide is sourced from PubChem (CID 46844244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).