4-ethoxy-N,N-diethylbutanamide

C10H21NO2 — CID 112728023

IUPAC4-ethoxy-N,N-diethylbutanamide
SMILESCCOCCCC(=O)N(CC)CC
InChIInChI=1S/C10H21NO2/c1-4-11(5-2)10(12)8-7-9-13-6-3/h4-9H2,1-3H3
InChIKeyYROAEANSFAULRN-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.67
Rot. Bonds7

About 4-ethoxy-N,N-diethylbutanamide

4-ethoxy-N,N-diethylbutanamide (PubChem CID 112728023) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 4-ethoxy-N,N-diethylbutanamide.

Molecular Properties

Compound Name4-ethoxy-N,N-diethylbutanamide
PubChem CID112728023
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name4-ethoxy-N,N-diethylbutanamide
SMILESCCOCCCC(=O)N(CC)CC
InChIInChI=1S/C10H21NO2/c1-4-11(5-2)10(12)8-7-9-13-6-3/h4-9H2,1-3H3
InChIKeyYROAEANSFAULRN-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.67
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 4-ethoxy-N,N-diethylbutanamide?
The IUPAC name of 4-ethoxy-N,N-diethylbutanamide (CID 112728023) is 4-ethoxy-N,N-diethylbutanamide.
What is the SMILES notation for 4-ethoxy-N,N-diethylbutanamide?
The canonical SMILES for 4-ethoxy-N,N-diethylbutanamide is CCOCCCC(=O)N(CC)CC.
What is the InChIKey of 4-ethoxy-N,N-diethylbutanamide?
The InChIKey is YROAEANSFAULRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-11(5-2)10(12)8-7-9-13-6-3/h4-9H2,1-3H3.
What are the key properties of 4-ethoxy-N,N-diethylbutanamide?
4-ethoxy-N,N-diethylbutanamide has a molecular weight of 187.28 g/mol, XLogP of 1.67, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N,N-diethylbutanamide is sourced from PubChem (CID 112728023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).