3-ethoxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide

C13H25NO3 — CID 62588421

IUPAC3-ethoxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide
SMILESCCOCCC(=O)NC1(CO)CCCC(C)C1
InChIInChI=1S/C13H25NO3/c1-3-17-8-6-12(16)14-13(10-15)7-4-5-11(2)9-13/h11,15H,3-10H2,1-2H3,(H,14,16)
InChIKeyRXYZNEFQXSNKKR-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.47
Rot. Bonds6

About 3-ethoxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide

3-ethoxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide (PubChem CID 62588421) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-ethoxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide.

Molecular Properties

Compound Name3-ethoxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide
PubChem CID62588421
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name3-ethoxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide
SMILESCCOCCC(=O)NC1(CO)CCCC(C)C1
InChIInChI=1S/C13H25NO3/c1-3-17-8-6-12(16)14-13(10-15)7-4-5-11(2)9-13/h11,15H,3-10H2,1-2H3,(H,14,16)
InChIKeyRXYZNEFQXSNKKR-UHFFFAOYSA-N
XLogP1.47
TPSA58.56 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 ≤ 51.47
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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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide?
The IUPAC name of 3-ethoxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide (CID 62588421) is 3-ethoxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide.
What is the SMILES notation for 3-ethoxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide?
The canonical SMILES for 3-ethoxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide is CCOCCC(=O)NC1(CO)CCCC(C)C1.
What is the InChIKey of 3-ethoxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide?
The InChIKey is RXYZNEFQXSNKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-3-17-8-6-12(16)14-13(10-15)7-4-5-11(2)9-13/h11,15H,3-10H2,1-2H3,(H,14,16).
What are the key properties of 3-ethoxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide?
3-ethoxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide has a molecular weight of 243.35 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide is sourced from PubChem (CID 62588421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).