3-methyl-3-[3-methyl-3-(pentanoylamino)butoxy]butanamide

C15H30N2O3 — CID 145388335

IUPAC3-methyl-3-[3-methyl-3-(pentanoylamino)butoxy]butanamide
SMILESCCCCC(=O)NC(C)(C)CCOC(C)(C)CC(N)=O
InChIInChI=1S/C15H30N2O3/c1-6-7-8-13(19)17-14(2,3)9-10-20-15(4,5)11-12(16)18/h6-11H2,1-5H3,(H2,16,18)(H,17,19)
InChIKeyVKRNQILHSXLLOM-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.13
Rot. Bonds10

About 3-methyl-3-[3-methyl-3-(pentanoylamino)butoxy]butanamide

3-methyl-3-[3-methyl-3-(pentanoylamino)butoxy]butanamide (PubChem CID 145388335) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-methyl-3-[3-methyl-3-(pentanoylamino)butoxy]butanamide.

Molecular Properties

Compound Name3-methyl-3-[3-methyl-3-(pentanoylamino)butoxy]butanamide
PubChem CID145388335
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name3-methyl-3-[3-methyl-3-(pentanoylamino)butoxy]butanamide
SMILESCCCCC(=O)NC(C)(C)CCOC(C)(C)CC(N)=O
InChIInChI=1S/C15H30N2O3/c1-6-7-8-13(19)17-14(2,3)9-10-20-15(4,5)11-12(16)18/h6-11H2,1-5H3,(H2,16,18)(H,17,19)
InChIKeyVKRNQILHSXLLOM-UHFFFAOYSA-N
XLogP2.13
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[3-methyl-3-(pentanoylamino)butoxy]butanamide?
The IUPAC name of 3-methyl-3-[3-methyl-3-(pentanoylamino)butoxy]butanamide (CID 145388335) is 3-methyl-3-[3-methyl-3-(pentanoylamino)butoxy]butanamide.
What is the SMILES notation for 3-methyl-3-[3-methyl-3-(pentanoylamino)butoxy]butanamide?
The canonical SMILES for 3-methyl-3-[3-methyl-3-(pentanoylamino)butoxy]butanamide is CCCCC(=O)NC(C)(C)CCOC(C)(C)CC(N)=O.
What is the InChIKey of 3-methyl-3-[3-methyl-3-(pentanoylamino)butoxy]butanamide?
The InChIKey is VKRNQILHSXLLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-6-7-8-13(19)17-14(2,3)9-10-20-15(4,5)11-12(16)18/h6-11H2,1-5H3,(H2,16,18)(H,17,19).
What are the key properties of 3-methyl-3-[3-methyl-3-(pentanoylamino)butoxy]butanamide?
3-methyl-3-[3-methyl-3-(pentanoylamino)butoxy]butanamide has a molecular weight of 286.42 g/mol, XLogP of 2.13, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[3-methyl-3-(pentanoylamino)butoxy]butanamide is sourced from PubChem (CID 145388335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).