N-(5,6-dihydroxy-3-methylhexyl)propanamide

C10H21NO3 — CID 170744814

IUPACN-(5,6-dihydroxy-3-methylhexyl)propanamide
SMILESCCC(=O)NCCC(C)CC(O)CO
InChIInChI=1S/C10H21NO3/c1-3-10(14)11-5-4-8(2)6-9(13)7-12/h8-9,12-13H,3-7H2,1-2H3,(H,11,14)
InChIKeyTZFNNCRPSDLCPE-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.28
Rot. Bonds7

About N-(5,6-dihydroxy-3-methylhexyl)propanamide

N-(5,6-dihydroxy-3-methylhexyl)propanamide (PubChem CID 170744814) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is N-(5,6-dihydroxy-3-methylhexyl)propanamide.

Molecular Properties

Compound NameN-(5,6-dihydroxy-3-methylhexyl)propanamide
PubChem CID170744814
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC NameN-(5,6-dihydroxy-3-methylhexyl)propanamide
SMILESCCC(=O)NCCC(C)CC(O)CO
InChIInChI=1S/C10H21NO3/c1-3-10(14)11-5-4-8(2)6-9(13)7-12/h8-9,12-13H,3-7H2,1-2H3,(H,11,14)
InChIKeyTZFNNCRPSDLCPE-UHFFFAOYSA-N
XLogP0.28
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-6-(methylamino)hexane-1,2-diol
CID 171648531
N-(5,6-dihydroxyhexyl)propanamide;ethane
CID 156842187
N-[(2R)-2,3-dihydroxypropyl]propanamide
CID 88953699
N-(4-hydroxypentyl)propanamide
CID 107299540
N-[5-hydroxy-4-(hydroxymethyl)pentyl]propanamide
CID 177233499
N-(5,6-dihydroxy-2-oxohexyl)propanamide
CID 123335377
N-(4-methylpentyl)propanamide
CID 54140551
ethane;N-(3-hydroxy-2-methylpropyl)propanamide
CID 155720922
N-(6-hydroxyheptyl)propanamide
CID 91284740
N-[(3S)-3-methylpent-4-enyl]propanamide
CID 138511725
[(2R)-4-(propanoylamino)butan-2-yl] acetate
CID 139456359
4-bromo-3-methyl-N-[2-(propanoylamino)ethyl]butanamide
CID 91498836

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydroxy-3-methylhexyl)propanamide?
The IUPAC name of N-(5,6-dihydroxy-3-methylhexyl)propanamide (CID 170744814) is N-(5,6-dihydroxy-3-methylhexyl)propanamide.
What is the SMILES notation for N-(5,6-dihydroxy-3-methylhexyl)propanamide?
The canonical SMILES for N-(5,6-dihydroxy-3-methylhexyl)propanamide is CCC(=O)NCCC(C)CC(O)CO.
What is the InChIKey of N-(5,6-dihydroxy-3-methylhexyl)propanamide?
The InChIKey is TZFNNCRPSDLCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-3-10(14)11-5-4-8(2)6-9(13)7-12/h8-9,12-13H,3-7H2,1-2H3,(H,11,14).
What are the key properties of N-(5,6-dihydroxy-3-methylhexyl)propanamide?
N-(5,6-dihydroxy-3-methylhexyl)propanamide has a molecular weight of 203.28 g/mol, XLogP of 0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydroxy-3-methylhexyl)propanamide is sourced from PubChem (CID 170744814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).