3-ethoxy-N-[(1-ethylcyclopentyl)methyl]propanamide

C13H25NO2 — CID 71969622

IUPAC3-ethoxy-N-[(1-ethylcyclopentyl)methyl]propanamide
SMILESCCOCCC(=O)NCC1(CC)CCCC1
InChIInChI=1S/C13H25NO2/c1-3-13(8-5-6-9-13)11-14-12(15)7-10-16-4-2/h3-11H2,1-2H3,(H,14,15)
InChIKeyCEJPIPWPXRDOEW-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.50
Rot. Bonds7

About 3-ethoxy-N-[(1-ethylcyclopentyl)methyl]propanamide

3-ethoxy-N-[(1-ethylcyclopentyl)methyl]propanamide (PubChem CID 71969622) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-ethoxy-N-[(1-ethylcyclopentyl)methyl]propanamide.

Molecular Properties

Compound Name3-ethoxy-N-[(1-ethylcyclopentyl)methyl]propanamide
PubChem CID71969622
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name3-ethoxy-N-[(1-ethylcyclopentyl)methyl]propanamide
SMILESCCOCCC(=O)NCC1(CC)CCCC1
InChIInChI=1S/C13H25NO2/c1-3-13(8-5-6-9-13)11-14-12(15)7-10-16-4-2/h3-11H2,1-2H3,(H,14,15)
InChIKeyCEJPIPWPXRDOEW-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-ethylcyclopentyl)methyl]propanamide?
The IUPAC name of 3-ethoxy-N-[(1-ethylcyclopentyl)methyl]propanamide (CID 71969622) is 3-ethoxy-N-[(1-ethylcyclopentyl)methyl]propanamide.
What is the SMILES notation for 3-ethoxy-N-[(1-ethylcyclopentyl)methyl]propanamide?
The canonical SMILES for 3-ethoxy-N-[(1-ethylcyclopentyl)methyl]propanamide is CCOCCC(=O)NCC1(CC)CCCC1.
What is the InChIKey of 3-ethoxy-N-[(1-ethylcyclopentyl)methyl]propanamide?
The InChIKey is CEJPIPWPXRDOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-13(8-5-6-9-13)11-14-12(15)7-10-16-4-2/h3-11H2,1-2H3,(H,14,15).
What are the key properties of 3-ethoxy-N-[(1-ethylcyclopentyl)methyl]propanamide?
3-ethoxy-N-[(1-ethylcyclopentyl)methyl]propanamide has a molecular weight of 227.35 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(1-ethylcyclopentyl)methyl]propanamide is sourced from PubChem (CID 71969622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).