(3S,5S)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N,3-dimethoxy-N,6,6-trimethylheptanamide

C28H43NO5Si — CID 71658910

IUPAC(3S,5S)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N,3-dimethoxy-N,6,6-trimethylheptanamide
SMILESCO[C@H](CC(=O)N(C)OC)C[C@H](O)C(C)(C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H43NO5Si/c1-27(2,3)35(23-15-11-9-12-16-23,24-17-13-10-14-18-24)34-21-28(4,5)25(30)19-22(32-7)20-26(31)29(6)33-8/h9-18,22,25,30H,19-21H2,1-8H3/t22-,25-/m0/s1
InChIKeyBALVQPHAMVYIRE-DHLKQENFSA-N
MW501.74 g/mol
LogP3.77
Rot. Bonds12

About (3S,5S)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N,3-dimethoxy-N,6,6-trimethylheptanamide

(3S,5S)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N,3-dimethoxy-N,6,6-trimethylheptanamide (PubChem CID 71658910) has the molecular formula C28H43NO5Si and a molecular weight of 501.74 g/mol. Its IUPAC name is (3S,5S)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N,3-dimethoxy-N,6,6-trimethylheptanamide.

Molecular Properties

Compound Name(3S,5S)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N,3-dimethoxy-N,6,6-trimethylheptanamide
PubChem CID71658910
Molecular FormulaC28H43NO5Si
Molecular Weight501.74 g/mol
Exact Mass501.29
IUPAC Name(3S,5S)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N,3-dimethoxy-N,6,6-trimethylheptanamide
SMILESCO[C@H](CC(=O)N(C)OC)C[C@H](O)C(C)(C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H43NO5Si/c1-27(2,3)35(23-15-11-9-12-16-23,24-17-13-10-14-18-24)34-21-28(4,5)25(30)19-22(32-7)20-26(31)29(6)33-8/h9-18,22,25,30H,19-21H2,1-8H3/t22-,25-/m0/s1
InChIKeyBALVQPHAMVYIRE-DHLKQENFSA-N
XLogP3.77
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.74
LogP ≤ 53.77
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N,3-dimethoxy-N,6,6-trimethylheptanamide?
The IUPAC name of (3S,5S)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N,3-dimethoxy-N,6,6-trimethylheptanamide (CID 71658910) is (3S,5S)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N,3-dimethoxy-N,6,6-trimethylheptanamide.
What is the SMILES notation for (3S,5S)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N,3-dimethoxy-N,6,6-trimethylheptanamide?
The canonical SMILES for (3S,5S)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N,3-dimethoxy-N,6,6-trimethylheptanamide is CO[C@H](CC(=O)N(C)OC)C[C@H](O)C(C)(C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (3S,5S)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N,3-dimethoxy-N,6,6-trimethylheptanamide?
The InChIKey is BALVQPHAMVYIRE-DHLKQENFSA-N. The full InChI is InChI=1S/C28H43NO5Si/c1-27(2,3)35(23-15-11-9-12-16-23,24-17-13-10-14-18-24)34-21-28(4,5)25(30)19-22(32-7)20-26(31)29(6)33-8/h9-18,22,25,30H,19-21H2,1-8H3/t22-,25-/m0/s1.
What are the key properties of (3S,5S)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N,3-dimethoxy-N,6,6-trimethylheptanamide?
(3S,5S)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N,3-dimethoxy-N,6,6-trimethylheptanamide has a molecular weight of 501.74 g/mol, XLogP of 3.77, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N,3-dimethoxy-N,6,6-trimethylheptanamide is sourced from PubChem (CID 71658910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).