N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide;ethane

C20H37NO3 — CID 177358182

IUPACN-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide;ethane
SMILESCC.CC(=O)C1CCC(NC(=O)CCCOC2CCCCC2)CC1
InChIInChI=1S/C18H31NO3.C2H6/c1-14(20)15-9-11-16(12-10-15)19-18(21)8-5-13-22-17-6-3-2-4-7-17;1-2/h15-17H,2-13H2,1H3,(H,19,21);1-2H3
InChIKeyJGJVDAGHNSSYNP-UHFFFAOYSA-N
MW339.52 g/mol
LogP4.41
Rot. Bonds7

About N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide;ethane

N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide;ethane (PubChem CID 177358182) has the molecular formula C20H37NO3 and a molecular weight of 339.52 g/mol. Its IUPAC name is N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide;ethane.

Molecular Properties

Compound NameN-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide;ethane
PubChem CID177358182
Molecular FormulaC20H37NO3
Molecular Weight339.52 g/mol
Exact Mass339.28
IUPAC NameN-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide;ethane
SMILESCC.CC(=O)C1CCC(NC(=O)CCCOC2CCCCC2)CC1
InChIInChI=1S/C18H31NO3.C2H6/c1-14(20)15-9-11-16(12-10-15)19-18(21)8-5-13-22-17-6-3-2-4-7-17;1-2/h15-17H,2-13H2,1H3,(H,19,21);1-2H3
InChIKeyJGJVDAGHNSSYNP-UHFFFAOYSA-N
XLogP4.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide
CID 177358183
N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide;molecular hydrogen;propan-2-ol
CID 178082793
N-(4-acetylcyclohexyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide;ethane;molecular hydrogen
CID 178082611
4-(4-acetamidocyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide
CID 169158725
4-[4-(2-methylpropanoylamino)cyclohexyl]oxy-N-(4-propanoylcyclohexyl)butanamide
CID 170195768
3-(4-ethoxycyclohexyl)oxy-N-(4-propanoylcyclohexyl)propanamide
CID 167464210
N-(3-cyclohexyloxypropyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetamide
CID 87014178
N,N'-dicyclopropyldecanediamide
CID 4668836
N-cycloheptyl-2-(2-cyclohexyloxyethylamino)acetamide
CID 63829111
4-(4-acetamidocyclohexyl)oxybutanamide
CID 169159363
6-cycloheptyloxyhexan-2-one
CID 61069930
molecular hydrogen;N-(3-propanoylcyclobutyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide
CID 169158273

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide;ethane?
The IUPAC name of N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide;ethane (CID 177358182) is N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide;ethane.
What is the SMILES notation for N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide;ethane?
The canonical SMILES for N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide;ethane is CC.CC(=O)C1CCC(NC(=O)CCCOC2CCCCC2)CC1.
What is the InChIKey of N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide;ethane?
The InChIKey is JGJVDAGHNSSYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO3.C2H6/c1-14(20)15-9-11-16(12-10-15)19-18(21)8-5-13-22-17-6-3-2-4-7-17;1-2/h15-17H,2-13H2,1H3,(H,19,21);1-2H3.
What are the key properties of N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide;ethane?
N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide;ethane has a molecular weight of 339.52 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide;ethane is sourced from PubChem (CID 177358182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).