3-cyclohexyloxy-2-hydroxy-5-methylhexanamide

C13H25NO3 — CID 134349565

IUPAC3-cyclohexyloxy-2-hydroxy-5-methylhexanamide
SMILESCC(C)CC(OC1CCCCC1)C(O)C(N)=O
InChIInChI=1S/C13H25NO3/c1-9(2)8-11(12(15)13(14)16)17-10-6-4-3-5-7-10/h9-12,15H,3-8H2,1-2H3,(H2,14,16)
InChIKeyPOHYNLLIAPRIKI-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.60
Rot. Bonds6

About 3-cyclohexyloxy-2-hydroxy-5-methylhexanamide

3-cyclohexyloxy-2-hydroxy-5-methylhexanamide (PubChem CID 134349565) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-cyclohexyloxy-2-hydroxy-5-methylhexanamide.

Molecular Properties

Compound Name3-cyclohexyloxy-2-hydroxy-5-methylhexanamide
PubChem CID134349565
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name3-cyclohexyloxy-2-hydroxy-5-methylhexanamide
SMILESCC(C)CC(OC1CCCCC1)C(O)C(N)=O
InChIInChI=1S/C13H25NO3/c1-9(2)8-11(12(15)13(14)16)17-10-6-4-3-5-7-10/h9-12,15H,3-8H2,1-2H3,(H2,14,16)
InChIKeyPOHYNLLIAPRIKI-UHFFFAOYSA-N
XLogP1.60
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cycloheptyl (2R)-2-amino-4-methylpentanoate
CID 78976122
cyclohexyl 4-methyl-2-(methylamino)pentanoate
CID 143660468
N-(1-amino-4-methylpentan-2-yl)-2-cycloheptyloxypropanamide;hydrochloride
CID 119587975
acetamide;cyclopentyl propanoate
CID 143322096
1-cyclohexyloxyethyl acetate
CID 58944366
2,5-dimethylhex-5-en-3-yloxycyclohexane
CID 123198142
2-amino-4-cycloheptyloxybutanamide
CID 63039802
(2S)-2-(2-cycloheptyloxypropanoylamino)-4-methylpentanoic acid
CID 119360863
2-methylpropyl 2-[(1R)-1-cyclohexyloxyethoxy]propanoate
CID 91172344
cycloheptyl 3-amino-2-methylpropanoate
CID 62668819
cycloheptyl 2-aminopropanoate;hydrochloride
CID 74957485
1-cyclopentyloxyethyl acetate
CID 58944284

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyloxy-2-hydroxy-5-methylhexanamide?
The IUPAC name of 3-cyclohexyloxy-2-hydroxy-5-methylhexanamide (CID 134349565) is 3-cyclohexyloxy-2-hydroxy-5-methylhexanamide.
What is the SMILES notation for 3-cyclohexyloxy-2-hydroxy-5-methylhexanamide?
The canonical SMILES for 3-cyclohexyloxy-2-hydroxy-5-methylhexanamide is CC(C)CC(OC1CCCCC1)C(O)C(N)=O.
What is the InChIKey of 3-cyclohexyloxy-2-hydroxy-5-methylhexanamide?
The InChIKey is POHYNLLIAPRIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-9(2)8-11(12(15)13(14)16)17-10-6-4-3-5-7-10/h9-12,15H,3-8H2,1-2H3,(H2,14,16).
What are the key properties of 3-cyclohexyloxy-2-hydroxy-5-methylhexanamide?
3-cyclohexyloxy-2-hydroxy-5-methylhexanamide has a molecular weight of 243.35 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxy-2-hydroxy-5-methylhexanamide is sourced from PubChem (CID 134349565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).