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

C34H57NO5Si2 — CID 71658905

IUPAC(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-N,3-dimethoxy-N,6,6-trimethylheptanamide
SMILESCO[C@H](CC(=O)N(C)OC)C[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C34H57NO5Si2/c1-32(2,3)41(12,13)40-30(24-27(37-10)25-31(36)35(9)38-11)34(7,8)26-39-42(33(4,5)6,28-20-16-14-17-21-28)29-22-18-15-19-23-29/h14-23,27,30H,24-26H2,1-13H3/t27-,30-/m0/s1
InChIKeyFTZKSBUZRIHGKQ-FIBWVYCGSA-N
MW616.00 g/mol
LogP6.79
Rot. Bonds14

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

(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-N,3-dimethoxy-N,6,6-trimethylheptanamide (PubChem CID 71658905) has the molecular formula C34H57NO5Si2 and a molecular weight of 616.00 g/mol. Its IUPAC name is (3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-N,3-dimethoxy-N,6,6-trimethylheptanamide.

Molecular Properties

Compound Name(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-N,3-dimethoxy-N,6,6-trimethylheptanamide
PubChem CID71658905
Molecular FormulaC34H57NO5Si2
Molecular Weight616.00 g/mol
Exact Mass615.38
IUPAC Name(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-N,3-dimethoxy-N,6,6-trimethylheptanamide
SMILESCO[C@H](CC(=O)N(C)OC)C[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C34H57NO5Si2/c1-32(2,3)41(12,13)40-30(24-27(37-10)25-31(36)35(9)38-11)34(7,8)26-39-42(33(4,5)6,28-20-16-14-17-21-28)29-22-18-15-19-23-29/h14-23,27,30H,24-26H2,1-13H3/t27-,30-/m0/s1
InChIKeyFTZKSBUZRIHGKQ-FIBWVYCGSA-N
XLogP6.79
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.00
LogP ≤ 56.79
H-Bond Donors ≤ 50
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)-5-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-N,3-dimethoxy-N,6,6-trimethylheptanamide?
The IUPAC name of (3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-N,3-dimethoxy-N,6,6-trimethylheptanamide (CID 71658905) is (3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-N,3-dimethoxy-N,6,6-trimethylheptanamide.
What is the SMILES notation for (3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-N,3-dimethoxy-N,6,6-trimethylheptanamide?
The canonical SMILES for (3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-N,3-dimethoxy-N,6,6-trimethylheptanamide is CO[C@H](CC(=O)N(C)OC)C[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-N,3-dimethoxy-N,6,6-trimethylheptanamide?
The InChIKey is FTZKSBUZRIHGKQ-FIBWVYCGSA-N. The full InChI is InChI=1S/C34H57NO5Si2/c1-32(2,3)41(12,13)40-30(24-27(37-10)25-31(36)35(9)38-11)34(7,8)26-39-42(33(4,5)6,28-20-16-14-17-21-28)29-22-18-15-19-23-29/h14-23,27,30H,24-26H2,1-13H3/t27-,30-/m0/s1.
What are the key properties of (3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-N,3-dimethoxy-N,6,6-trimethylheptanamide?
(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-N,3-dimethoxy-N,6,6-trimethylheptanamide has a molecular weight of 616.00 g/mol, XLogP of 6.79, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-N,3-dimethoxy-N,6,6-trimethylheptanamide is sourced from PubChem (CID 71658905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).