(3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,4-dimethyl-3-(2-prop-1-en-2-ylphenyl)pentanamide

C23H39NO3Si — CID 139255785

IUPAC(3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,4-dimethyl-3-(2-prop-1-en-2-ylphenyl)pentanamide
SMILESC=C(C)c1ccccc1[C@H](CC(=O)N(C)OC)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H39NO3Si/c1-17(2)19-13-11-12-14-20(19)21(15-22(25)24(7)26-8)18(3)16-27-28(9,10)23(4,5)6/h11-14,18,21H,1,15-16H2,2-10H3/t18-,21-/m1/s1
InChIKeyLTNDFYSPFQKBDI-WIYYLYMNSA-N
MW405.66 g/mol
LogP5.87
Rot. Bonds9

About (3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,4-dimethyl-3-(2-prop-1-en-2-ylphenyl)pentanamide

(3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,4-dimethyl-3-(2-prop-1-en-2-ylphenyl)pentanamide (PubChem CID 139255785) has the molecular formula C23H39NO3Si and a molecular weight of 405.66 g/mol. Its IUPAC name is (3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,4-dimethyl-3-(2-prop-1-en-2-ylphenyl)pentanamide.

Molecular Properties

Compound Name(3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,4-dimethyl-3-(2-prop-1-en-2-ylphenyl)pentanamide
PubChem CID139255785
Molecular FormulaC23H39NO3Si
Molecular Weight405.66 g/mol
Exact Mass405.27
IUPAC Name(3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,4-dimethyl-3-(2-prop-1-en-2-ylphenyl)pentanamide
SMILESC=C(C)c1ccccc1[C@H](CC(=O)N(C)OC)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H39NO3Si/c1-17(2)19-13-11-12-14-20(19)21(15-22(25)24(7)26-8)18(3)16-27-28(9,10)23(4,5)6/h11-14,18,21H,1,15-16H2,2-10H3/t18-,21-/m1/s1
InChIKeyLTNDFYSPFQKBDI-WIYYLYMNSA-N
XLogP5.87
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.66
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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 (3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,4-dimethyl-3-(2-prop-1-en-2-ylphenyl)pentanamide?
The IUPAC name of (3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,4-dimethyl-3-(2-prop-1-en-2-ylphenyl)pentanamide (CID 139255785) is (3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,4-dimethyl-3-(2-prop-1-en-2-ylphenyl)pentanamide.
What is the SMILES notation for (3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,4-dimethyl-3-(2-prop-1-en-2-ylphenyl)pentanamide?
The canonical SMILES for (3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,4-dimethyl-3-(2-prop-1-en-2-ylphenyl)pentanamide is C=C(C)c1ccccc1[C@H](CC(=O)N(C)OC)[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,4-dimethyl-3-(2-prop-1-en-2-ylphenyl)pentanamide?
The InChIKey is LTNDFYSPFQKBDI-WIYYLYMNSA-N. The full InChI is InChI=1S/C23H39NO3Si/c1-17(2)19-13-11-12-14-20(19)21(15-22(25)24(7)26-8)18(3)16-27-28(9,10)23(4,5)6/h11-14,18,21H,1,15-16H2,2-10H3/t18-,21-/m1/s1.
What are the key properties of (3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,4-dimethyl-3-(2-prop-1-en-2-ylphenyl)pentanamide?
(3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,4-dimethyl-3-(2-prop-1-en-2-ylphenyl)pentanamide has a molecular weight of 405.66 g/mol, XLogP of 5.87, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,4-dimethyl-3-(2-prop-1-en-2-ylphenyl)pentanamide is sourced from PubChem (CID 139255785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).