4-[2-[tert-butyl(dimethyl)silyl]oxy-6-cyclopentyloxy-3,5-dimethoxy-4-methylphenyl]butanamide

C24H41NO5Si — CID 170667610

IUPAC4-[2-[tert-butyl(dimethyl)silyl]oxy-6-cyclopentyloxy-3,5-dimethoxy-4-methylphenyl]butanamide
SMILESCOc1c(C)c(OC)c(O[Si](C)(C)C(C)(C)C)c(CCCC(N)=O)c1OC1CCCC1
InChIInChI=1S/C24H41NO5Si/c1-16-20(27-5)22(29-17-12-9-10-13-17)18(14-11-15-19(25)26)23(21(16)28-6)30-31(7,8)24(2,3)4/h17H,9-15H2,1-8H3,(H2,25,26)
InChIKeyMMKNBICBVGSSJK-UHFFFAOYSA-N
MW451.68 g/mol
LogP5.53
Rot. Bonds10

About 4-[2-[tert-butyl(dimethyl)silyl]oxy-6-cyclopentyloxy-3,5-dimethoxy-4-methylphenyl]butanamide

4-[2-[tert-butyl(dimethyl)silyl]oxy-6-cyclopentyloxy-3,5-dimethoxy-4-methylphenyl]butanamide (PubChem CID 170667610) has the molecular formula C24H41NO5Si and a molecular weight of 451.68 g/mol. Its IUPAC name is 4-[2-[tert-butyl(dimethyl)silyl]oxy-6-cyclopentyloxy-3,5-dimethoxy-4-methylphenyl]butanamide.

Molecular Properties

Compound Name4-[2-[tert-butyl(dimethyl)silyl]oxy-6-cyclopentyloxy-3,5-dimethoxy-4-methylphenyl]butanamide
PubChem CID170667610
Molecular FormulaC24H41NO5Si
Molecular Weight451.68 g/mol
Exact Mass451.28
IUPAC Name4-[2-[tert-butyl(dimethyl)silyl]oxy-6-cyclopentyloxy-3,5-dimethoxy-4-methylphenyl]butanamide
SMILESCOc1c(C)c(OC)c(O[Si](C)(C)C(C)(C)C)c(CCCC(N)=O)c1OC1CCCC1
InChIInChI=1S/C24H41NO5Si/c1-16-20(27-5)22(29-17-12-9-10-13-17)18(14-11-15-19(25)26)23(21(16)28-6)30-31(7,8)24(2,3)4/h17H,9-15H2,1-8H3,(H2,25,26)
InChIKeyMMKNBICBVGSSJK-UHFFFAOYSA-N
XLogP5.53
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 ≤ 55.53
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 4-[2-[tert-butyl(dimethyl)silyl]oxy-6-cyclopentyloxy-3,5-dimethoxy-4-methylphenyl]butanamide?
The IUPAC name of 4-[2-[tert-butyl(dimethyl)silyl]oxy-6-cyclopentyloxy-3,5-dimethoxy-4-methylphenyl]butanamide (CID 170667610) is 4-[2-[tert-butyl(dimethyl)silyl]oxy-6-cyclopentyloxy-3,5-dimethoxy-4-methylphenyl]butanamide.
What is the SMILES notation for 4-[2-[tert-butyl(dimethyl)silyl]oxy-6-cyclopentyloxy-3,5-dimethoxy-4-methylphenyl]butanamide?
The canonical SMILES for 4-[2-[tert-butyl(dimethyl)silyl]oxy-6-cyclopentyloxy-3,5-dimethoxy-4-methylphenyl]butanamide is COc1c(C)c(OC)c(O[Si](C)(C)C(C)(C)C)c(CCCC(N)=O)c1OC1CCCC1.
What is the InChIKey of 4-[2-[tert-butyl(dimethyl)silyl]oxy-6-cyclopentyloxy-3,5-dimethoxy-4-methylphenyl]butanamide?
The InChIKey is MMKNBICBVGSSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41NO5Si/c1-16-20(27-5)22(29-17-12-9-10-13-17)18(14-11-15-19(25)26)23(21(16)28-6)30-31(7,8)24(2,3)4/h17H,9-15H2,1-8H3,(H2,25,26).
What are the key properties of 4-[2-[tert-butyl(dimethyl)silyl]oxy-6-cyclopentyloxy-3,5-dimethoxy-4-methylphenyl]butanamide?
4-[2-[tert-butyl(dimethyl)silyl]oxy-6-cyclopentyloxy-3,5-dimethoxy-4-methylphenyl]butanamide has a molecular weight of 451.68 g/mol, XLogP of 5.53, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[tert-butyl(dimethyl)silyl]oxy-6-cyclopentyloxy-3,5-dimethoxy-4-methylphenyl]butanamide is sourced from PubChem (CID 170667610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).