3-[[4-(ethoxymethyl)cyclohexyl]methoxy]propanamide

C13H25NO3 — CID 167464642

IUPAC3-[[4-(ethoxymethyl)cyclohexyl]methoxy]propanamide
SMILESCCOCC1CCC(COCCC(N)=O)CC1
InChIInChI=1S/C13H25NO3/c1-2-16-9-11-3-5-12(6-4-11)10-17-8-7-13(14)15/h11-12H,2-10H2,1H3,(H2,14,15)
InChIKeyURSYNZZBOHUXOK-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.72
Rot. Bonds8

About 3-[[4-(ethoxymethyl)cyclohexyl]methoxy]propanamide

3-[[4-(ethoxymethyl)cyclohexyl]methoxy]propanamide (PubChem CID 167464642) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-[[4-(ethoxymethyl)cyclohexyl]methoxy]propanamide.

Molecular Properties

Compound Name3-[[4-(ethoxymethyl)cyclohexyl]methoxy]propanamide
PubChem CID167464642
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name3-[[4-(ethoxymethyl)cyclohexyl]methoxy]propanamide
SMILESCCOCC1CCC(COCCC(N)=O)CC1
InChIInChI=1S/C13H25NO3/c1-2-16-9-11-3-5-12(6-4-11)10-17-8-7-13(14)15/h11-12H,2-10H2,1H3,(H2,14,15)
InChIKeyURSYNZZBOHUXOK-UHFFFAOYSA-N
XLogP1.72
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.72
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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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(ethoxymethyl)cyclohexyl]methoxy]propanamide?
The IUPAC name of 3-[[4-(ethoxymethyl)cyclohexyl]methoxy]propanamide (CID 167464642) is 3-[[4-(ethoxymethyl)cyclohexyl]methoxy]propanamide.
What is the SMILES notation for 3-[[4-(ethoxymethyl)cyclohexyl]methoxy]propanamide?
The canonical SMILES for 3-[[4-(ethoxymethyl)cyclohexyl]methoxy]propanamide is CCOCC1CCC(COCCC(N)=O)CC1.
What is the InChIKey of 3-[[4-(ethoxymethyl)cyclohexyl]methoxy]propanamide?
The InChIKey is URSYNZZBOHUXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-2-16-9-11-3-5-12(6-4-11)10-17-8-7-13(14)15/h11-12H,2-10H2,1H3,(H2,14,15).
What are the key properties of 3-[[4-(ethoxymethyl)cyclohexyl]methoxy]propanamide?
3-[[4-(ethoxymethyl)cyclohexyl]methoxy]propanamide has a molecular weight of 243.35 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(ethoxymethyl)cyclohexyl]methoxy]propanamide is sourced from PubChem (CID 167464642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).