(2R,3R,4R,5R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-N-methoxy-N,2,4,6-tetramethylheptanamide

C28H43NO5Si — CID 10896388

IUPAC(2R,3R,4R,5R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-N-methoxy-N,2,4,6-tetramethylheptanamide
SMILESCON(C)C(=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H43NO5Si/c1-20(25(30)21(2)26(31)22(3)27(32)29(7)33-8)19-34-35(28(4,5)6,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,20-22,25-26,30-31H,19H2,1-8H3/t20-,21-,22-,25-,26-/m1/s1
InChIKeyULVHAFVMFMFIKC-YVIAOSTFSA-N
MW501.74 g/mol
LogP3.21
Rot. Bonds11

About (2R,3R,4R,5R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-N-methoxy-N,2,4,6-tetramethylheptanamide

(2R,3R,4R,5R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-N-methoxy-N,2,4,6-tetramethylheptanamide (PubChem CID 10896388) has the molecular formula C28H43NO5Si and a molecular weight of 501.74 g/mol. Its IUPAC name is (2R,3R,4R,5R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-N-methoxy-N,2,4,6-tetramethylheptanamide.

Molecular Properties

Compound Name(2R,3R,4R,5R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-N-methoxy-N,2,4,6-tetramethylheptanamide
PubChem CID10896388
Molecular FormulaC28H43NO5Si
Molecular Weight501.74 g/mol
Exact Mass501.29
IUPAC Name(2R,3R,4R,5R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-N-methoxy-N,2,4,6-tetramethylheptanamide
SMILESCON(C)C(=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H43NO5Si/c1-20(25(30)21(2)26(31)22(3)27(32)29(7)33-8)19-34-35(28(4,5)6,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,20-22,25-26,30-31H,19H2,1-8H3/t20-,21-,22-,25-,26-/m1/s1
InChIKeyULVHAFVMFMFIKC-YVIAOSTFSA-N
XLogP3.21
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.74
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

(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-hydroxy-3-methyl-decanoic acid methoxy-methyl-amide
CID 46844244
7-(tert-Butyl-diphenyl-silanyloxy)-5-methoxy-3-methyl-decanoic acid methoxy-methyl-amide
CID 46844799
1-[(2S,3R,4S,5R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-2-ethenyl-3-hydroxy-4,6-dimethyl-5-triethylsilyloxyheptanoyl]pyrrolidin-2-one
CID 134904555
(3R,5S)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,3-dimethyl-5-triethylsilyloxy-3-trimethylsilyloxyhexanamide
CID 134958709
4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylcyclohexane-1-carboxamide
CID 89407420
4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylcyclohexane-1-carboxamide;4-hydroxy-N-methoxy-N-methylcyclohexane-1-carboxamide
CID 173773772
(3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,4,5-trihydroxy-N-methoxy-N-methylhexanamide
CID 10790196
(2R)-2-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-N-methoxy-N-methylpropanamide
CID 11124411
(4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,4-dimethyl-5-triethylsilyloxyhexanamide
CID 11613771
(1S,2S,3R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydroxy-N-methoxy-N-methylcyclohexane-1-carboxamide
CID 16119922
(2R,3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,2,4-trimethyl-3-trimethylsilyloxypentanamide
CID 42604024

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-N-methoxy-N,2,4,6-tetramethylheptanamide?
The IUPAC name of (2R,3R,4R,5R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-N-methoxy-N,2,4,6-tetramethylheptanamide (CID 10896388) is (2R,3R,4R,5R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-N-methoxy-N,2,4,6-tetramethylheptanamide.
What is the SMILES notation for (2R,3R,4R,5R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-N-methoxy-N,2,4,6-tetramethylheptanamide?
The canonical SMILES for (2R,3R,4R,5R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-N-methoxy-N,2,4,6-tetramethylheptanamide is CON(C)C(=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2R,3R,4R,5R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-N-methoxy-N,2,4,6-tetramethylheptanamide?
The InChIKey is ULVHAFVMFMFIKC-YVIAOSTFSA-N. The full InChI is InChI=1S/C28H43NO5Si/c1-20(25(30)21(2)26(31)22(3)27(32)29(7)33-8)19-34-35(28(4,5)6,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,20-22,25-26,30-31H,19H2,1-8H3/t20-,21-,22-,25-,26-/m1/s1.
What are the key properties of (2R,3R,4R,5R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-N-methoxy-N,2,4,6-tetramethylheptanamide?
(2R,3R,4R,5R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-N-methoxy-N,2,4,6-tetramethylheptanamide has a molecular weight of 501.74 g/mol, XLogP of 3.21, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-N-methoxy-N,2,4,6-tetramethylheptanamide is sourced from PubChem (CID 10896388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).