N-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]-2,2-dimethyl-N-(2-methylcyclohexyl)propanamide

C24H49NO2Si — CID 71580757

IUPACN-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]-2,2-dimethyl-N-(2-methylcyclohexyl)propanamide
SMILESCC1CCCCC1N(CCCCCCO[Si](C)(C)C(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C24H49NO2Si/c1-20-16-12-13-17-21(20)25(22(26)23(2,3)4)18-14-10-11-15-19-27-28(8,9)24(5,6)7/h20-21H,10-19H2,1-9H3
InChIKeyBJPSNCHYFXVCKL-UHFFFAOYSA-N
MW411.75 g/mol
LogP7.02
Rot. Bonds9

About N-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]-2,2-dimethyl-N-(2-methylcyclohexyl)propanamide

N-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]-2,2-dimethyl-N-(2-methylcyclohexyl)propanamide (PubChem CID 71580757) has the molecular formula C24H49NO2Si and a molecular weight of 411.75 g/mol. Its IUPAC name is N-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]-2,2-dimethyl-N-(2-methylcyclohexyl)propanamide.

Molecular Properties

Compound NameN-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]-2,2-dimethyl-N-(2-methylcyclohexyl)propanamide
PubChem CID71580757
Molecular FormulaC24H49NO2Si
Molecular Weight411.75 g/mol
Exact Mass411.35
IUPAC NameN-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]-2,2-dimethyl-N-(2-methylcyclohexyl)propanamide
SMILESCC1CCCCC1N(CCCCCCO[Si](C)(C)C(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C24H49NO2Si/c1-20-16-12-13-17-21(20)25(22(26)23(2,3)4)18-14-10-11-15-19-27-28(8,9)24(5,6)7/h20-21H,10-19H2,1-9H3
InChIKeyBJPSNCHYFXVCKL-UHFFFAOYSA-N
XLogP7.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.75
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]-2,2-dimethyl-N-(2-methylcyclohexyl)propanamide?
The IUPAC name of N-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]-2,2-dimethyl-N-(2-methylcyclohexyl)propanamide (CID 71580757) is N-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]-2,2-dimethyl-N-(2-methylcyclohexyl)propanamide.
What is the SMILES notation for N-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]-2,2-dimethyl-N-(2-methylcyclohexyl)propanamide?
The canonical SMILES for N-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]-2,2-dimethyl-N-(2-methylcyclohexyl)propanamide is CC1CCCCC1N(CCCCCCO[Si](C)(C)C(C)(C)C)C(=O)C(C)(C)C.
What is the InChIKey of N-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]-2,2-dimethyl-N-(2-methylcyclohexyl)propanamide?
The InChIKey is BJPSNCHYFXVCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49NO2Si/c1-20-16-12-13-17-21(20)25(22(26)23(2,3)4)18-14-10-11-15-19-27-28(8,9)24(5,6)7/h20-21H,10-19H2,1-9H3.
What are the key properties of N-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]-2,2-dimethyl-N-(2-methylcyclohexyl)propanamide?
N-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]-2,2-dimethyl-N-(2-methylcyclohexyl)propanamide has a molecular weight of 411.75 g/mol, XLogP of 7.02, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]-2,2-dimethyl-N-(2-methylcyclohexyl)propanamide is sourced from PubChem (CID 71580757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).