N-(2,6-dihydroxyhexyl)acetamide

C8H17NO3 — CID 19031150

IUPACN-(2,6-dihydroxyhexyl)acetamide
SMILESCC(=O)NCC(O)CCCCO
InChIInChI=1S/C8H17NO3/c1-7(11)9-6-8(12)4-2-3-5-10/h8,10,12H,2-6H2,1H3,(H,9,11)
InChIKeyCVOYZAGOPUMXIN-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.35
Rot. Bonds6

About N-(2,6-dihydroxyhexyl)acetamide

N-(2,6-dihydroxyhexyl)acetamide (PubChem CID 19031150) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is N-(2,6-dihydroxyhexyl)acetamide.

Molecular Properties

Compound NameN-(2,6-dihydroxyhexyl)acetamide
PubChem CID19031150
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC NameN-(2,6-dihydroxyhexyl)acetamide
SMILESCC(=O)NCC(O)CCCCO
InChIInChI=1S/C8H17NO3/c1-7(11)9-6-8(12)4-2-3-5-10/h8,10,12H,2-6H2,1H3,(H,9,11)
InChIKeyCVOYZAGOPUMXIN-UHFFFAOYSA-N
XLogP-0.35
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.35
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-[(2S)-2-hydroxyheptyl]acetamide
CID 11686981
heptacosane-1,10,27-triol
CID 56980866
hexacosane-1,8,19,26-tetrol
CID 167004997
hexadecane-1,8,16-triol
CID 11403100
5-(methylamino)pentane-1,4-diol
CID 54247724
methyl N-(3-acetamido-2-hydroxypropyl)carbamate
CID 23527594
methyl 4,8-dihydroxyoctanoate
CID 174750860
(5R)-heptane-1,5-diol
CID 170849468
methyl 10,18-dihydroxyoctadecanoate
CID 129219404
methyl (9S)-9,16-dihydroxyhexadecanoate
CID 162875043
20-hydroxy-N-[2-hydroxy-3-(20-hydroxyicosanoylamino)propyl]icosanamide
CID 87382092
N-(2-hydroxy-3-methylsulfonylpropyl)acetamide
CID 165449735

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dihydroxyhexyl)acetamide?
The IUPAC name of N-(2,6-dihydroxyhexyl)acetamide (CID 19031150) is N-(2,6-dihydroxyhexyl)acetamide.
What is the SMILES notation for N-(2,6-dihydroxyhexyl)acetamide?
The canonical SMILES for N-(2,6-dihydroxyhexyl)acetamide is CC(=O)NCC(O)CCCCO.
What is the InChIKey of N-(2,6-dihydroxyhexyl)acetamide?
The InChIKey is CVOYZAGOPUMXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-7(11)9-6-8(12)4-2-3-5-10/h8,10,12H,2-6H2,1H3,(H,9,11).
What are the key properties of N-(2,6-dihydroxyhexyl)acetamide?
N-(2,6-dihydroxyhexyl)acetamide has a molecular weight of 175.23 g/mol, XLogP of -0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dihydroxyhexyl)acetamide is sourced from PubChem (CID 19031150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).