N-(3,4,5,6-tetrahydroxy-2-methylhexyl)propanamide

C10H21NO5 — CID 123181572

IUPACN-(3,4,5,6-tetrahydroxy-2-methylhexyl)propanamide
SMILESCCC(=O)NCC(C)C(O)C(O)C(O)CO
InChIInChI=1S/C10H21NO5/c1-3-8(14)11-4-6(2)9(15)10(16)7(13)5-12/h6-7,9-10,12-13,15-16H,3-5H2,1-2H3,(H,11,14)
InChIKeyLXCVJXIOKQERKJ-UHFFFAOYSA-N
MW235.28 g/mol
LogP-1.78
Rot. Bonds7

About N-(3,4,5,6-tetrahydroxy-2-methylhexyl)propanamide

N-(3,4,5,6-tetrahydroxy-2-methylhexyl)propanamide (PubChem CID 123181572) has the molecular formula C10H21NO5 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-(3,4,5,6-tetrahydroxy-2-methylhexyl)propanamide.

Molecular Properties

Compound NameN-(3,4,5,6-tetrahydroxy-2-methylhexyl)propanamide
PubChem CID123181572
Molecular FormulaC10H21NO5
Molecular Weight235.28 g/mol
Exact Mass235.14
IUPAC NameN-(3,4,5,6-tetrahydroxy-2-methylhexyl)propanamide
SMILESCCC(=O)NCC(C)C(O)C(O)C(O)CO
InChIInChI=1S/C10H21NO5/c1-3-8(14)11-4-6(2)9(15)10(16)7(13)5-12/h6-7,9-10,12-13,15-16H,3-5H2,1-2H3,(H,11,14)
InChIKeyLXCVJXIOKQERKJ-UHFFFAOYSA-N
XLogP-1.78
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 5-1.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

n-Acetyl glucamine
CID 9942631
Acetamido-2-deoxyglucitol
CID 129800609
1-Acetamido-1-deoxyhexitol
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N-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]methyl]acetamide
CID 156818462
N-[2-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]methylamino]ethyl]acetamide
CID 167408626
(Methylacetamido)glucitol
CID 129800619
N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide
CID 15929700
N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]butanamide
CID 15929701
3-ethyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]heptanamide
CID 18667373
2-methyl-3-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide
CID 20648225
3-hydroxy-2-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide
CID 20648227
N-[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]acetamide
CID 53660466

Frequently Asked Questions

What is the IUPAC name of N-(3,4,5,6-tetrahydroxy-2-methylhexyl)propanamide?
The IUPAC name of N-(3,4,5,6-tetrahydroxy-2-methylhexyl)propanamide (CID 123181572) is N-(3,4,5,6-tetrahydroxy-2-methylhexyl)propanamide.
What is the SMILES notation for N-(3,4,5,6-tetrahydroxy-2-methylhexyl)propanamide?
The canonical SMILES for N-(3,4,5,6-tetrahydroxy-2-methylhexyl)propanamide is CCC(=O)NCC(C)C(O)C(O)C(O)CO.
What is the InChIKey of N-(3,4,5,6-tetrahydroxy-2-methylhexyl)propanamide?
The InChIKey is LXCVJXIOKQERKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO5/c1-3-8(14)11-4-6(2)9(15)10(16)7(13)5-12/h6-7,9-10,12-13,15-16H,3-5H2,1-2H3,(H,11,14).
What are the key properties of N-(3,4,5,6-tetrahydroxy-2-methylhexyl)propanamide?
N-(3,4,5,6-tetrahydroxy-2-methylhexyl)propanamide has a molecular weight of 235.28 g/mol, XLogP of -1.78, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4,5,6-tetrahydroxy-2-methylhexyl)propanamide is sourced from PubChem (CID 123181572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).