(4S,5S,6R)-N-methoxy-N,4,6-trimethyl-9-phenylmethoxy-5-triethylsilyloxynon-2-ynamide

C26H43NO4Si — CID 10695331

IUPAC(4S,5S,6R)-N-methoxy-N,4,6-trimethyl-9-phenylmethoxy-5-triethylsilyloxynon-2-ynamide
SMILESCC[Si](CC)(CC)O[C@@H]([C@H](C)CCCOCc1ccccc1)[C@@H](C)C#CC(=O)N(C)OC
InChIInChI=1S/C26H43NO4Si/c1-8-32(9-2,10-3)31-26(23(5)18-19-25(28)27(6)29-7)22(4)15-14-20-30-21-24-16-12-11-13-17-24/h11-13,16-17,22-23,26H,8-10,14-15,20-21H2,1-7H3/t22-,23+,26+/m1/s1
InChIKeyHEAHDFJCFLUGFF-UMFSSWHCSA-N
MW461.72 g/mol
LogP5.67
Rot. Bonds14

About (4S,5S,6R)-N-methoxy-N,4,6-trimethyl-9-phenylmethoxy-5-triethylsilyloxynon-2-ynamide

(4S,5S,6R)-N-methoxy-N,4,6-trimethyl-9-phenylmethoxy-5-triethylsilyloxynon-2-ynamide (PubChem CID 10695331) has the molecular formula C26H43NO4Si and a molecular weight of 461.72 g/mol. Its IUPAC name is (4S,5S,6R)-N-methoxy-N,4,6-trimethyl-9-phenylmethoxy-5-triethylsilyloxynon-2-ynamide.

Molecular Properties

Compound Name(4S,5S,6R)-N-methoxy-N,4,6-trimethyl-9-phenylmethoxy-5-triethylsilyloxynon-2-ynamide
PubChem CID10695331
Molecular FormulaC26H43NO4Si
Molecular Weight461.72 g/mol
Exact Mass461.30
IUPAC Name(4S,5S,6R)-N-methoxy-N,4,6-trimethyl-9-phenylmethoxy-5-triethylsilyloxynon-2-ynamide
SMILESCC[Si](CC)(CC)O[C@@H]([C@H](C)CCCOCc1ccccc1)[C@@H](C)C#CC(=O)N(C)OC
InChIInChI=1S/C26H43NO4Si/c1-8-32(9-2,10-3)31-26(23(5)18-19-25(28)27(6)29-7)22(4)15-14-20-30-21-24-16-12-11-13-17-24/h11-13,16-17,22-23,26H,8-10,14-15,20-21H2,1-7H3/t22-,23+,26+/m1/s1
InChIKeyHEAHDFJCFLUGFF-UMFSSWHCSA-N
XLogP5.67
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.72
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S,5S,6R)-N-methoxy-N,4,6-trimethyl-9-phenylmethoxy-5-triethylsilyloxynon-2-ynamide?
The IUPAC name of (4S,5S,6R)-N-methoxy-N,4,6-trimethyl-9-phenylmethoxy-5-triethylsilyloxynon-2-ynamide (CID 10695331) is (4S,5S,6R)-N-methoxy-N,4,6-trimethyl-9-phenylmethoxy-5-triethylsilyloxynon-2-ynamide.
What is the SMILES notation for (4S,5S,6R)-N-methoxy-N,4,6-trimethyl-9-phenylmethoxy-5-triethylsilyloxynon-2-ynamide?
The canonical SMILES for (4S,5S,6R)-N-methoxy-N,4,6-trimethyl-9-phenylmethoxy-5-triethylsilyloxynon-2-ynamide is CC[Si](CC)(CC)O[C@@H]([C@H](C)CCCOCc1ccccc1)[C@@H](C)C#CC(=O)N(C)OC.
What is the InChIKey of (4S,5S,6R)-N-methoxy-N,4,6-trimethyl-9-phenylmethoxy-5-triethylsilyloxynon-2-ynamide?
The InChIKey is HEAHDFJCFLUGFF-UMFSSWHCSA-N. The full InChI is InChI=1S/C26H43NO4Si/c1-8-32(9-2,10-3)31-26(23(5)18-19-25(28)27(6)29-7)22(4)15-14-20-30-21-24-16-12-11-13-17-24/h11-13,16-17,22-23,26H,8-10,14-15,20-21H2,1-7H3/t22-,23+,26+/m1/s1.
What are the key properties of (4S,5S,6R)-N-methoxy-N,4,6-trimethyl-9-phenylmethoxy-5-triethylsilyloxynon-2-ynamide?
(4S,5S,6R)-N-methoxy-N,4,6-trimethyl-9-phenylmethoxy-5-triethylsilyloxynon-2-ynamide has a molecular weight of 461.72 g/mol, XLogP of 5.67, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S,6R)-N-methoxy-N,4,6-trimethyl-9-phenylmethoxy-5-triethylsilyloxynon-2-ynamide is sourced from PubChem (CID 10695331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).