3-hydroxy-2-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide

C11H23NO7 — CID 20648227

IUPAC3-hydroxy-2-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide
SMILESCC(O)C(C)C(=O)NCC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C11H23NO7/c1-5(6(2)14)11(19)12-3-7(15)9(17)10(18)8(16)4-13/h5-10,13-18H,3-4H2,1-2H3,(H,12,19)
InChIKeyRVDYAEAGEPTRIK-UHFFFAOYSA-N
MW281.31 g/mol
LogP-3.44
Rot. Bonds8

About 3-hydroxy-2-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide

3-hydroxy-2-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide (PubChem CID 20648227) has the molecular formula C11H23NO7 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide.

Molecular Properties

Compound Name3-hydroxy-2-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide
PubChem CID20648227
Molecular FormulaC11H23NO7
Molecular Weight281.31 g/mol
Exact Mass281.15
IUPAC Name3-hydroxy-2-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide
SMILESCC(O)C(C)C(=O)NCC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C11H23NO7/c1-5(6(2)14)11(19)12-3-7(15)9(17)10(18)8(16)4-13/h5-10,13-18H,3-4H2,1-2H3,(H,12,19)
InChIKeyRVDYAEAGEPTRIK-UHFFFAOYSA-N
XLogP-3.44
TPSA150.48 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.31
LogP ≤ 5-3.44
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide?
The IUPAC name of 3-hydroxy-2-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide (CID 20648227) is 3-hydroxy-2-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide.
What is the SMILES notation for 3-hydroxy-2-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide?
The canonical SMILES for 3-hydroxy-2-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide is CC(O)C(C)C(=O)NCC(O)C(O)C(O)C(O)CO.
What is the InChIKey of 3-hydroxy-2-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide?
The InChIKey is RVDYAEAGEPTRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO7/c1-5(6(2)14)11(19)12-3-7(15)9(17)10(18)8(16)4-13/h5-10,13-18H,3-4H2,1-2H3,(H,12,19).
What are the key properties of 3-hydroxy-2-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide?
3-hydroxy-2-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide has a molecular weight of 281.31 g/mol, XLogP of -3.44, 8 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide is sourced from PubChem (CID 20648227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).