(3R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-N-methylpent-4-enamide

C19H31NO2Si — CID 10065434

IUPAC(3R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-N-methylpent-4-enamide
SMILESC=C[C@@H](CC(=O)N(C)Cc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H31NO2Si/c1-8-17(22-23(6,7)19(2,3)4)14-18(21)20(5)15-16-12-10-9-11-13-16/h8-13,17H,1,14-15H2,2-7H3/t17-/m0/s1
InChIKeyYBQZJPRRZOORNG-KRWDZBQOSA-N
MW333.55 g/mol
LogP4.61
Rot. Bonds7

About (3R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-N-methylpent-4-enamide

(3R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-N-methylpent-4-enamide (PubChem CID 10065434) has the molecular formula C19H31NO2Si and a molecular weight of 333.55 g/mol. Its IUPAC name is (3R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-N-methylpent-4-enamide.

Molecular Properties

Compound Name(3R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-N-methylpent-4-enamide
PubChem CID10065434
Molecular FormulaC19H31NO2Si
Molecular Weight333.55 g/mol
Exact Mass333.21
IUPAC Name(3R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-N-methylpent-4-enamide
SMILESC=C[C@@H](CC(=O)N(C)Cc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H31NO2Si/c1-8-17(22-23(6,7)19(2,3)4)14-18(21)20(5)15-16-12-10-9-11-13-16/h8-13,17H,1,14-15H2,2-7H3/t17-/m0/s1
InChIKeyYBQZJPRRZOORNG-KRWDZBQOSA-N
XLogP4.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.55
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-N-methylpent-4-enamide?
The IUPAC name of (3R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-N-methylpent-4-enamide (CID 10065434) is (3R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-N-methylpent-4-enamide.
What is the SMILES notation for (3R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-N-methylpent-4-enamide?
The canonical SMILES for (3R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-N-methylpent-4-enamide is C=C[C@@H](CC(=O)N(C)Cc1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-N-methylpent-4-enamide?
The InChIKey is YBQZJPRRZOORNG-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H31NO2Si/c1-8-17(22-23(6,7)19(2,3)4)14-18(21)20(5)15-16-12-10-9-11-13-16/h8-13,17H,1,14-15H2,2-7H3/t17-/m0/s1.
What are the key properties of (3R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-N-methylpent-4-enamide?
(3R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-N-methylpent-4-enamide has a molecular weight of 333.55 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-N-methylpent-4-enamide is sourced from PubChem (CID 10065434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).