(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]phenyl]-N-methoxy-N-methylpropanamide

C27H47NO4Si2 — CID 101334367

IUPAC(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]phenyl]-N-methoxy-N-methylpropanamide
SMILESC#CC[C@H](O[Si](C)(C)C(C)(C)C)c1cccc([C@@H](CC(=O)N(C)OC)O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C27H47NO4Si2/c1-14-16-23(31-33(10,11)26(2,3)4)21-17-15-18-22(19-21)24(20-25(29)28(8)30-9)32-34(12,13)27(5,6)7/h1,15,17-19,23-24H,16,20H2,2-13H3/t23-,24+/m0/s1
InChIKeyQGPFHLCLROTIJS-BJKOFHAPSA-N
MW505.85 g/mol
LogP7.25
Rot. Bonds10

About (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]phenyl]-N-methoxy-N-methylpropanamide

(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]phenyl]-N-methoxy-N-methylpropanamide (PubChem CID 101334367) has the molecular formula C27H47NO4Si2 and a molecular weight of 505.85 g/mol. Its IUPAC name is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]phenyl]-N-methoxy-N-methylpropanamide.

Molecular Properties

Compound Name(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]phenyl]-N-methoxy-N-methylpropanamide
PubChem CID101334367
Molecular FormulaC27H47NO4Si2
Molecular Weight505.85 g/mol
Exact Mass505.30
IUPAC Name(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]phenyl]-N-methoxy-N-methylpropanamide
SMILESC#CC[C@H](O[Si](C)(C)C(C)(C)C)c1cccc([C@@H](CC(=O)N(C)OC)O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C27H47NO4Si2/c1-14-16-23(31-33(10,11)26(2,3)4)21-17-15-18-22(19-21)24(20-25(29)28(8)30-9)32-34(12,13)27(5,6)7/h1,15,17-19,23-24H,16,20H2,2-13H3/t23-,24+/m0/s1
InChIKeyQGPFHLCLROTIJS-BJKOFHAPSA-N
XLogP7.25
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.85
LogP ≤ 57.25
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]phenyl]-N-methoxy-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]phenyl]-N-methoxy-N-methylpropanamide?
The IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]phenyl]-N-methoxy-N-methylpropanamide (CID 101334367) is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]phenyl]-N-methoxy-N-methylpropanamide.
What is the SMILES notation for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]phenyl]-N-methoxy-N-methylpropanamide?
The canonical SMILES for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]phenyl]-N-methoxy-N-methylpropanamide is C#CC[C@H](O[Si](C)(C)C(C)(C)C)c1cccc([C@@H](CC(=O)N(C)OC)O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]phenyl]-N-methoxy-N-methylpropanamide?
The InChIKey is QGPFHLCLROTIJS-BJKOFHAPSA-N. The full InChI is InChI=1S/C27H47NO4Si2/c1-14-16-23(31-33(10,11)26(2,3)4)21-17-15-18-22(19-21)24(20-25(29)28(8)30-9)32-34(12,13)27(5,6)7/h1,15,17-19,23-24H,16,20H2,2-13H3/t23-,24+/m0/s1.
What are the key properties of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]phenyl]-N-methoxy-N-methylpropanamide?
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]phenyl]-N-methoxy-N-methylpropanamide has a molecular weight of 505.85 g/mol, XLogP of 7.25, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]phenyl]-N-methoxy-N-methylpropanamide is sourced from PubChem (CID 101334367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).