N-(4-ethyl-5,6-dihydroxyhexyl)propanamide

C11H23NO3 — CID 123890135

IUPACN-(4-ethyl-5,6-dihydroxyhexyl)propanamide
SMILESCCC(=O)NCCCC(CC)C(O)CO
InChIInChI=1S/C11H23NO3/c1-3-9(10(14)8-13)6-5-7-12-11(15)4-2/h9-10,13-14H,3-8H2,1-2H3,(H,12,15)
InChIKeyCXTYLUDMZDOYSF-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.67
Rot. Bonds8

About N-(4-ethyl-5,6-dihydroxyhexyl)propanamide

N-(4-ethyl-5,6-dihydroxyhexyl)propanamide (PubChem CID 123890135) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is N-(4-ethyl-5,6-dihydroxyhexyl)propanamide.

Molecular Properties

Compound NameN-(4-ethyl-5,6-dihydroxyhexyl)propanamide
PubChem CID123890135
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC NameN-(4-ethyl-5,6-dihydroxyhexyl)propanamide
SMILESCCC(=O)NCCCC(CC)C(O)CO
InChIInChI=1S/C11H23NO3/c1-3-9(10(14)8-13)6-5-7-12-11(15)4-2/h9-10,13-14H,3-8H2,1-2H3,(H,12,15)
InChIKeyCXTYLUDMZDOYSF-UHFFFAOYSA-N
XLogP0.67
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(7-hydroxy-6-methyl-octyl)-acetamide
CID 163116185
2-fluoro-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide
CID 109928293
2-fluoro-N-[(3-hydroxycyclopentyl)methyl]-2-methylpropanamide
CID 130172763
N-[6-Hydroxy-5-(hydroxymethyl)hexyl]acetamide
CID 45119240
N-(6-hydroxyhexyl)-2-methylbutanamide
CID 53697313
N-[(4S)-5-hydroxy-4-methylpentyl]acetamide
CID 57722517
N-[(4R)-5-hydroxy-4-methylpentyl]acetamide
CID 57722538
N-(2,3-dihydroxy-3,5-dimethylhexyl)butanamide
CID 57832071
N-[[(1R,2R,3R,4S)-2,3-dihydroxy-4-methylcyclopentyl]methyl]acetamide
CID 58543420
N-[2-[(1R,3S)-3-hydroxycyclopentyl]ethyl]-2-methylpropanamide
CID 68197492
N-[[(1S,3S)-3-hydroxycyclopentyl]methyl]-2-methylpropanamide
CID 68197495
N-[(3R,5S)-3,5,6-trihydroxyhexyl]propanamide
CID 87280956

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-5,6-dihydroxyhexyl)propanamide?
The IUPAC name of N-(4-ethyl-5,6-dihydroxyhexyl)propanamide (CID 123890135) is N-(4-ethyl-5,6-dihydroxyhexyl)propanamide.
What is the SMILES notation for N-(4-ethyl-5,6-dihydroxyhexyl)propanamide?
The canonical SMILES for N-(4-ethyl-5,6-dihydroxyhexyl)propanamide is CCC(=O)NCCCC(CC)C(O)CO.
What is the InChIKey of N-(4-ethyl-5,6-dihydroxyhexyl)propanamide?
The InChIKey is CXTYLUDMZDOYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-3-9(10(14)8-13)6-5-7-12-11(15)4-2/h9-10,13-14H,3-8H2,1-2H3,(H,12,15).
What are the key properties of N-(4-ethyl-5,6-dihydroxyhexyl)propanamide?
N-(4-ethyl-5,6-dihydroxyhexyl)propanamide has a molecular weight of 217.31 g/mol, XLogP of 0.67, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-5,6-dihydroxyhexyl)propanamide is sourced from PubChem (CID 123890135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).