4-(4-acetamidocyclohexyl)oxybutanamide

C12H22N2O3 — CID 169159363

IUPAC4-(4-acetamidocyclohexyl)oxybutanamide
SMILESCC(=O)NC1CCC(OCCCC(N)=O)CC1
InChIInChI=1S/C12H22N2O3/c1-9(15)14-10-4-6-11(7-5-10)17-8-2-3-12(13)16/h10-11H,2-8H2,1H3,(H2,13,16)(H,14,15)
InChIKeyHGECWIABLVFGFM-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.72
Rot. Bonds6

About 4-(4-acetamidocyclohexyl)oxybutanamide

4-(4-acetamidocyclohexyl)oxybutanamide (PubChem CID 169159363) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-(4-acetamidocyclohexyl)oxybutanamide.

Molecular Properties

Compound Name4-(4-acetamidocyclohexyl)oxybutanamide
PubChem CID169159363
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name4-(4-acetamidocyclohexyl)oxybutanamide
SMILESCC(=O)NC1CCC(OCCCC(N)=O)CC1
InChIInChI=1S/C12H22N2O3/c1-9(15)14-10-4-6-11(7-5-10)17-8-2-3-12(13)16/h10-11H,2-8H2,1H3,(H2,13,16)(H,14,15)
InChIKeyHGECWIABLVFGFM-UHFFFAOYSA-N
XLogP0.72
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methoxycyclohexyl)oxybutanamide
CID 169159127
4-(4-acetamidocyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide
CID 169158725
N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide
CID 177358183
N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide;ethane
CID 177358182
(4-acetamidocyclohexyl) acetate
CID 15442390
N-[4-[(4-acetamidocyclohexyl)methyl]cyclohexyl]-4-ethoxybutanamide
CID 23405567
N-(4-acetylcyclohexyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide;ethane;molecular hydrogen
CID 178082611
4-[4-(2-methylpropanoylamino)cyclohexyl]oxy-N-(4-propanoylcyclohexyl)butanamide
CID 170195768
N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide;molecular hydrogen;propan-2-ol
CID 178082793
tert-butyl N-[4-(2-aminoethoxy)cyclohexyl]carbamate
CID 66563857
3-(4-ethoxycyclohexyl)oxy-N-(4-propanoylcyclohexyl)propanamide
CID 167464210
[(4-butoxycyclohexyl)amino]carbamic acid
CID 150311178

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetamidocyclohexyl)oxybutanamide?
The IUPAC name of 4-(4-acetamidocyclohexyl)oxybutanamide (CID 169159363) is 4-(4-acetamidocyclohexyl)oxybutanamide.
What is the SMILES notation for 4-(4-acetamidocyclohexyl)oxybutanamide?
The canonical SMILES for 4-(4-acetamidocyclohexyl)oxybutanamide is CC(=O)NC1CCC(OCCCC(N)=O)CC1.
What is the InChIKey of 4-(4-acetamidocyclohexyl)oxybutanamide?
The InChIKey is HGECWIABLVFGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(15)14-10-4-6-11(7-5-10)17-8-2-3-12(13)16/h10-11H,2-8H2,1H3,(H2,13,16)(H,14,15).
What are the key properties of 4-(4-acetamidocyclohexyl)oxybutanamide?
4-(4-acetamidocyclohexyl)oxybutanamide has a molecular weight of 242.32 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetamidocyclohexyl)oxybutanamide is sourced from PubChem (CID 169159363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).