(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyloxy-4-(3,5-dimethoxy-4-methylphenyl)butanamide

C24H41NO5Si — CID 169092192

IUPAC(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyloxy-4-(3,5-dimethoxy-4-methylphenyl)butanamide
SMILESCOc1cc([C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CC(N)=O)OC2CCCC2)cc(OC)c1C
InChIInChI=1S/C24H41NO5Si/c1-16-19(27-5)13-17(14-20(16)28-6)23(30-31(7,8)24(2,3)4)21(15-22(25)26)29-18-11-9-10-12-18/h13-14,18,21,23H,9-12,15H2,1-8H3,(H2,25,26)/t21-,23+/m0/s1
InChIKeyZUZLMCYQAGFHQO-JTHBVZDNSA-N
MW451.68 g/mol
LogP5.28
Rot. Bonds10

About (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyloxy-4-(3,5-dimethoxy-4-methylphenyl)butanamide

(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyloxy-4-(3,5-dimethoxy-4-methylphenyl)butanamide (PubChem CID 169092192) has the molecular formula C24H41NO5Si and a molecular weight of 451.68 g/mol. Its IUPAC name is (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyloxy-4-(3,5-dimethoxy-4-methylphenyl)butanamide.

Molecular Properties

Compound Name(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyloxy-4-(3,5-dimethoxy-4-methylphenyl)butanamide
PubChem CID169092192
Molecular FormulaC24H41NO5Si
Molecular Weight451.68 g/mol
Exact Mass451.28
IUPAC Name(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyloxy-4-(3,5-dimethoxy-4-methylphenyl)butanamide
SMILESCOc1cc([C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CC(N)=O)OC2CCCC2)cc(OC)c1C
InChIInChI=1S/C24H41NO5Si/c1-16-19(27-5)13-17(14-20(16)28-6)23(30-31(7,8)24(2,3)4)21(15-22(25)26)29-18-11-9-10-12-18/h13-14,18,21,23H,9-12,15H2,1-8H3,(H2,25,26)/t21-,23+/m0/s1
InChIKeyZUZLMCYQAGFHQO-JTHBVZDNSA-N
XLogP5.28
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.68
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyloxy-4-(3,5-dimethoxy-4-methylphenyl)butanamide?
The IUPAC name of (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyloxy-4-(3,5-dimethoxy-4-methylphenyl)butanamide (CID 169092192) is (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyloxy-4-(3,5-dimethoxy-4-methylphenyl)butanamide.
What is the SMILES notation for (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyloxy-4-(3,5-dimethoxy-4-methylphenyl)butanamide?
The canonical SMILES for (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyloxy-4-(3,5-dimethoxy-4-methylphenyl)butanamide is COc1cc([C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CC(N)=O)OC2CCCC2)cc(OC)c1C.
What is the InChIKey of (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyloxy-4-(3,5-dimethoxy-4-methylphenyl)butanamide?
The InChIKey is ZUZLMCYQAGFHQO-JTHBVZDNSA-N. The full InChI is InChI=1S/C24H41NO5Si/c1-16-19(27-5)13-17(14-20(16)28-6)23(30-31(7,8)24(2,3)4)21(15-22(25)26)29-18-11-9-10-12-18/h13-14,18,21,23H,9-12,15H2,1-8H3,(H2,25,26)/t21-,23+/m0/s1.
What are the key properties of (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyloxy-4-(3,5-dimethoxy-4-methylphenyl)butanamide?
(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyloxy-4-(3,5-dimethoxy-4-methylphenyl)butanamide has a molecular weight of 451.68 g/mol, XLogP of 5.28, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentyloxy-4-(3,5-dimethoxy-4-methylphenyl)butanamide is sourced from PubChem (CID 169092192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).