4-(3,3-dimethylpentoxy)-4-methylpentanamide;ethane

C15H33NO2 — CID 156884875

IUPAC4-(3,3-dimethylpentoxy)-4-methylpentanamide;ethane
SMILESCC.CCC(C)(C)CCOC(C)(C)CCC(N)=O
InChIInChI=1S/C13H27NO2.C2H6/c1-6-12(2,3)9-10-16-13(4,5)8-7-11(14)15;1-2/h6-10H2,1-5H3,(H2,14,15);1-2H3
InChIKeyNRFJKRBWWHITGF-UHFFFAOYSA-N
MW259.43 g/mol
LogP3.90
Rot. Bonds8

About 4-(3,3-dimethylpentoxy)-4-methylpentanamide;ethane

4-(3,3-dimethylpentoxy)-4-methylpentanamide;ethane (PubChem CID 156884875) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is 4-(3,3-dimethylpentoxy)-4-methylpentanamide;ethane.

Molecular Properties

Compound Name4-(3,3-dimethylpentoxy)-4-methylpentanamide;ethane
PubChem CID156884875
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC Name4-(3,3-dimethylpentoxy)-4-methylpentanamide;ethane
SMILESCC.CCC(C)(C)CCOC(C)(C)CCC(N)=O
InChIInChI=1S/C13H27NO2.C2H6/c1-6-12(2,3)9-10-16-13(4,5)8-7-11(14)15;1-2/h6-10H2,1-5H3,(H2,14,15);1-2H3
InChIKeyNRFJKRBWWHITGF-UHFFFAOYSA-N
XLogP3.90
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylpentoxy)-4-methylpentanamide;ethane?
The IUPAC name of 4-(3,3-dimethylpentoxy)-4-methylpentanamide;ethane (CID 156884875) is 4-(3,3-dimethylpentoxy)-4-methylpentanamide;ethane.
What is the SMILES notation for 4-(3,3-dimethylpentoxy)-4-methylpentanamide;ethane?
The canonical SMILES for 4-(3,3-dimethylpentoxy)-4-methylpentanamide;ethane is CC.CCC(C)(C)CCOC(C)(C)CCC(N)=O.
What is the InChIKey of 4-(3,3-dimethylpentoxy)-4-methylpentanamide;ethane?
The InChIKey is NRFJKRBWWHITGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2.C2H6/c1-6-12(2,3)9-10-16-13(4,5)8-7-11(14)15;1-2/h6-10H2,1-5H3,(H2,14,15);1-2H3.
What are the key properties of 4-(3,3-dimethylpentoxy)-4-methylpentanamide;ethane?
4-(3,3-dimethylpentoxy)-4-methylpentanamide;ethane has a molecular weight of 259.43 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylpentoxy)-4-methylpentanamide;ethane is sourced from PubChem (CID 156884875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).