(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-methoxy-N,2-dimethylpent-4-enamide

C25H35NO3Si — CID 162456238

IUPAC(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-methoxy-N,2-dimethylpent-4-enamide
SMILESC=C[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)C(=O)N(C)OC
InChIInChI=1S/C25H35NO3Si/c1-8-21(20(2)24(27)26(6)28-7)19-29-30(25(3,4)5,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h8-18,20-21H,1,19H2,2-7H3/t20-,21+/m1/s1
InChIKeyFHSUGZFPKYMXNK-RTWAWAEBSA-N
MW425.65 g/mol
LogP4.02
Rot. Bonds9

About (2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-methoxy-N,2-dimethylpent-4-enamide

(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-methoxy-N,2-dimethylpent-4-enamide (PubChem CID 162456238) has the molecular formula C25H35NO3Si and a molecular weight of 425.65 g/mol. Its IUPAC name is (2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-methoxy-N,2-dimethylpent-4-enamide.

Molecular Properties

Compound Name(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-methoxy-N,2-dimethylpent-4-enamide
PubChem CID162456238
Molecular FormulaC25H35NO3Si
Molecular Weight425.65 g/mol
Exact Mass425.24
IUPAC Name(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-methoxy-N,2-dimethylpent-4-enamide
SMILESC=C[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)C(=O)N(C)OC
InChIInChI=1S/C25H35NO3Si/c1-8-21(20(2)24(27)26(6)28-7)19-29-30(25(3,4)5,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h8-18,20-21H,1,19H2,2-7H3/t20-,21+/m1/s1
InChIKeyFHSUGZFPKYMXNK-RTWAWAEBSA-N
XLogP4.02
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.65
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 (2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-methoxy-N,2-dimethylpent-4-enamide?
The IUPAC name of (2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-methoxy-N,2-dimethylpent-4-enamide (CID 162456238) is (2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-methoxy-N,2-dimethylpent-4-enamide.
What is the SMILES notation for (2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-methoxy-N,2-dimethylpent-4-enamide?
The canonical SMILES for (2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-methoxy-N,2-dimethylpent-4-enamide is C=C[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)C(=O)N(C)OC.
What is the InChIKey of (2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-methoxy-N,2-dimethylpent-4-enamide?
The InChIKey is FHSUGZFPKYMXNK-RTWAWAEBSA-N. The full InChI is InChI=1S/C25H35NO3Si/c1-8-21(20(2)24(27)26(6)28-7)19-29-30(25(3,4)5,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h8-18,20-21H,1,19H2,2-7H3/t20-,21+/m1/s1.
What are the key properties of (2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-methoxy-N,2-dimethylpent-4-enamide?
(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-methoxy-N,2-dimethylpent-4-enamide has a molecular weight of 425.65 g/mol, XLogP of 4.02, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-methoxy-N,2-dimethylpent-4-enamide is sourced from PubChem (CID 162456238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).