N-cyclohexyl-3-ethoxy-N-ethylpropanamide

C13H25NO2 — CID 2976102

IUPACN-cyclohexyl-3-ethoxy-N-ethylpropanamide
SMILESCCOCCC(=O)N(CC)C1CCCCC1
InChIInChI=1S/C13H25NO2/c1-3-14(12-8-6-5-7-9-12)13(15)10-11-16-4-2/h12H,3-11H2,1-2H3
InChIKeyKJQIJGXBKBKFBE-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.59
Rot. Bonds6

About N-cyclohexyl-3-ethoxy-N-ethylpropanamide

N-cyclohexyl-3-ethoxy-N-ethylpropanamide (PubChem CID 2976102) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-cyclohexyl-3-ethoxy-N-ethylpropanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-ethoxy-N-ethylpropanamide
PubChem CID2976102
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-cyclohexyl-3-ethoxy-N-ethylpropanamide
SMILESCCOCCC(=O)N(CC)C1CCCCC1
InChIInChI=1S/C13H25NO2/c1-3-14(12-8-6-5-7-9-12)13(15)10-11-16-4-2/h12H,3-11H2,1-2H3
InChIKeyKJQIJGXBKBKFBE-UHFFFAOYSA-N
XLogP2.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
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 N-cyclohexyl-3-ethoxy-N-ethylpropanamide?
The IUPAC name of N-cyclohexyl-3-ethoxy-N-ethylpropanamide (CID 2976102) is N-cyclohexyl-3-ethoxy-N-ethylpropanamide.
What is the SMILES notation for N-cyclohexyl-3-ethoxy-N-ethylpropanamide?
The canonical SMILES for N-cyclohexyl-3-ethoxy-N-ethylpropanamide is CCOCCC(=O)N(CC)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-ethoxy-N-ethylpropanamide?
The InChIKey is KJQIJGXBKBKFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-14(12-8-6-5-7-9-12)13(15)10-11-16-4-2/h12H,3-11H2,1-2H3.
What are the key properties of N-cyclohexyl-3-ethoxy-N-ethylpropanamide?
N-cyclohexyl-3-ethoxy-N-ethylpropanamide has a molecular weight of 227.35 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-ethoxy-N-ethylpropanamide is sourced from PubChem (CID 2976102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).