2,3,4,5,6-pentahydroxy-N-(3-methylbutyl)hexanamide

C11H23NO6 — CID 135157558

IUPAC2,3,4,5,6-pentahydroxy-N-(3-methylbutyl)hexanamide
SMILESCC(C)CCNC(=O)C(O)C(O)C(O)C(O)CO
InChIInChI=1S/C11H23NO6/c1-6(2)3-4-12-11(18)10(17)9(16)8(15)7(14)5-13/h6-10,13-17H,3-5H2,1-2H3,(H,12,18)
InChIKeyBLUSMBBXZQGVBK-UHFFFAOYSA-N
MW265.31 g/mol
LogP-2.42
Rot. Bonds8

About 2,3,4,5,6-pentahydroxy-N-(3-methylbutyl)hexanamide

2,3,4,5,6-pentahydroxy-N-(3-methylbutyl)hexanamide (PubChem CID 135157558) has the molecular formula C11H23NO6 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2,3,4,5,6-pentahydroxy-N-(3-methylbutyl)hexanamide.

Molecular Properties

Compound Name2,3,4,5,6-pentahydroxy-N-(3-methylbutyl)hexanamide
PubChem CID135157558
Molecular FormulaC11H23NO6
Molecular Weight265.31 g/mol
Exact Mass265.15
IUPAC Name2,3,4,5,6-pentahydroxy-N-(3-methylbutyl)hexanamide
SMILESCC(C)CCNC(=O)C(O)C(O)C(O)C(O)CO
InChIInChI=1S/C11H23NO6/c1-6(2)3-4-12-11(18)10(17)9(16)8(15)7(14)5-13/h6-10,13-17H,3-5H2,1-2H3,(H,12,18)
InChIKeyBLUSMBBXZQGVBK-UHFFFAOYSA-N
XLogP-2.42
TPSA130.25 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.31
LogP ≤ 5-2.42
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R,4S,5R,6R)-N-[2-[[(2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoyl]amino]ethyl]-2,3,4,5,6,7-hexahydroxyheptanamide
CID 102513201
(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxy-N-[3-[[(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]propyl]hexanamide
CID 14403953
N-(2-bromoethyl)-2,3,4,5,6-pentahydroxyhexanamide
CID 117069356
(3S,4R)-N-ethyl-2,3,4,5,6-pentahydroxyhexanamide
CID 138650369
ethane;N-ethyl-2,3,4,5,6-pentahydroxyhexanamide
CID 144926346
(2R,3R,4R,5R,6S)-N-butyl-2,3,4,5,6,7-hexahydroxyheptanamide
CID 124819757
2,3,4,5,6-pentahydroxy-N-[2-[methyl-[2-(2,3,4,5,6-pentahydroxyhexanoylamino)ethyl]amino]ethyl]hexanamide
CID 58472211
N-(3-aminopropyl)-2,3,4,5,6-pentahydroxyhexanamide
CID 23193776
hydroxy-dimethyl-[5-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]pentan-2-yl]azanium
CID 18635688
(2S)-2-(2,3,4,5,6-pentahydroxyhexanoylamino)propanoic acid
CID 56969147
(2S,4S,5R)-N-(4-aminobutyl)-2,3,4,5,6-pentahydroxyhexanamide
CID 89146863
2,3,4,5,6-pentahydroxy-N-prop-2-ynylhexanamide
CID 58210245

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentahydroxy-N-(3-methylbutyl)hexanamide?
The IUPAC name of 2,3,4,5,6-pentahydroxy-N-(3-methylbutyl)hexanamide (CID 135157558) is 2,3,4,5,6-pentahydroxy-N-(3-methylbutyl)hexanamide.
What is the SMILES notation for 2,3,4,5,6-pentahydroxy-N-(3-methylbutyl)hexanamide?
The canonical SMILES for 2,3,4,5,6-pentahydroxy-N-(3-methylbutyl)hexanamide is CC(C)CCNC(=O)C(O)C(O)C(O)C(O)CO.
What is the InChIKey of 2,3,4,5,6-pentahydroxy-N-(3-methylbutyl)hexanamide?
The InChIKey is BLUSMBBXZQGVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO6/c1-6(2)3-4-12-11(18)10(17)9(16)8(15)7(14)5-13/h6-10,13-17H,3-5H2,1-2H3,(H,12,18).
What are the key properties of 2,3,4,5,6-pentahydroxy-N-(3-methylbutyl)hexanamide?
2,3,4,5,6-pentahydroxy-N-(3-methylbutyl)hexanamide has a molecular weight of 265.31 g/mol, XLogP of -2.42, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentahydroxy-N-(3-methylbutyl)hexanamide is sourced from PubChem (CID 135157558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).