(2R,3R)-N-methoxy-N,2,4-trimethyl-3-[methyl(diphenyl)silyl]oxypent-4-enamide

C22H29NO3Si — CID 10905089

IUPAC(2R,3R)-N-methoxy-N,2,4-trimethyl-3-[methyl(diphenyl)silyl]oxypent-4-enamide
SMILESC=C(C)[C@H](O[Si](C)(c1ccccc1)c1ccccc1)[C@@H](C)C(=O)N(C)OC
InChIInChI=1S/C22H29NO3Si/c1-17(2)21(18(3)22(24)23(4)25-5)26-27(6,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21H,1H2,2-6H3/t18-,21+/m1/s1
InChIKeyRLJLVKOAUAJSSB-NQIIRXRSSA-N
MW383.56 g/mol
LogP2.99
Rot. Bonds8

About (2R,3R)-N-methoxy-N,2,4-trimethyl-3-[methyl(diphenyl)silyl]oxypent-4-enamide

(2R,3R)-N-methoxy-N,2,4-trimethyl-3-[methyl(diphenyl)silyl]oxypent-4-enamide (PubChem CID 10905089) has the molecular formula C22H29NO3Si and a molecular weight of 383.56 g/mol. Its IUPAC name is (2R,3R)-N-methoxy-N,2,4-trimethyl-3-[methyl(diphenyl)silyl]oxypent-4-enamide.

Molecular Properties

Compound Name(2R,3R)-N-methoxy-N,2,4-trimethyl-3-[methyl(diphenyl)silyl]oxypent-4-enamide
PubChem CID10905089
Molecular FormulaC22H29NO3Si
Molecular Weight383.56 g/mol
Exact Mass383.19
IUPAC Name(2R,3R)-N-methoxy-N,2,4-trimethyl-3-[methyl(diphenyl)silyl]oxypent-4-enamide
SMILESC=C(C)[C@H](O[Si](C)(c1ccccc1)c1ccccc1)[C@@H](C)C(=O)N(C)OC
InChIInChI=1S/C22H29NO3Si/c1-17(2)21(18(3)22(24)23(4)25-5)26-27(6,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21H,1H2,2-6H3/t18-,21+/m1/s1
InChIKeyRLJLVKOAUAJSSB-NQIIRXRSSA-N
XLogP2.99
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.56
LogP ≤ 52.99
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)-N-methoxy-N,2,4-trimethyl-3-[methyl(diphenyl)silyl]oxypent-4-enamide?
The IUPAC name of (2R,3R)-N-methoxy-N,2,4-trimethyl-3-[methyl(diphenyl)silyl]oxypent-4-enamide (CID 10905089) is (2R,3R)-N-methoxy-N,2,4-trimethyl-3-[methyl(diphenyl)silyl]oxypent-4-enamide.
What is the SMILES notation for (2R,3R)-N-methoxy-N,2,4-trimethyl-3-[methyl(diphenyl)silyl]oxypent-4-enamide?
The canonical SMILES for (2R,3R)-N-methoxy-N,2,4-trimethyl-3-[methyl(diphenyl)silyl]oxypent-4-enamide is C=C(C)[C@H](O[Si](C)(c1ccccc1)c1ccccc1)[C@@H](C)C(=O)N(C)OC.
What is the InChIKey of (2R,3R)-N-methoxy-N,2,4-trimethyl-3-[methyl(diphenyl)silyl]oxypent-4-enamide?
The InChIKey is RLJLVKOAUAJSSB-NQIIRXRSSA-N. The full InChI is InChI=1S/C22H29NO3Si/c1-17(2)21(18(3)22(24)23(4)25-5)26-27(6,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21H,1H2,2-6H3/t18-,21+/m1/s1.
What are the key properties of (2R,3R)-N-methoxy-N,2,4-trimethyl-3-[methyl(diphenyl)silyl]oxypent-4-enamide?
(2R,3R)-N-methoxy-N,2,4-trimethyl-3-[methyl(diphenyl)silyl]oxypent-4-enamide has a molecular weight of 383.56 g/mol, XLogP of 2.99, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-methoxy-N,2,4-trimethyl-3-[methyl(diphenyl)silyl]oxypent-4-enamide is sourced from PubChem (CID 10905089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).