4-ethoxybutanamide

C6H13NO2 — CID 19020272

IUPAC4-ethoxybutanamide
SMILESCCOCCCC(N)=O
InChIInChI=1S/C6H13NO2/c1-2-9-5-3-4-6(7)8/h2-5H2,1H3,(H2,7,8)
InChIKeyBVLOWVKWYYSFEX-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.29
Rot. Bonds5

About 4-ethoxybutanamide

4-ethoxybutanamide (PubChem CID 19020272) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 4-ethoxybutanamide.

Molecular Properties

Compound Name4-ethoxybutanamide
PubChem CID19020272
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name4-ethoxybutanamide
SMILESCCOCCCC(N)=O
InChIInChI=1S/C6H13NO2/c1-2-9-5-3-4-6(7)8/h2-5H2,1H3,(H2,7,8)
InChIKeyBVLOWVKWYYSFEX-UHFFFAOYSA-N
XLogP0.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.29
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 4-ethoxybutanamide?
The IUPAC name of 4-ethoxybutanamide (CID 19020272) is 4-ethoxybutanamide.
What is the SMILES notation for 4-ethoxybutanamide?
The canonical SMILES for 4-ethoxybutanamide is CCOCCCC(N)=O.
What is the InChIKey of 4-ethoxybutanamide?
The InChIKey is BVLOWVKWYYSFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-2-9-5-3-4-6(7)8/h2-5H2,1H3,(H2,7,8).
What are the key properties of 4-ethoxybutanamide?
4-ethoxybutanamide has a molecular weight of 131.18 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxybutanamide is sourced from PubChem (CID 19020272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).