2-cyano-N-(2-ethoxyethyl)-N-ethylbutanamide

C11H20N2O2 — CID 55249857

IUPAC2-cyano-N-(2-ethoxyethyl)-N-ethylbutanamide
SMILESCCOCCN(CC)C(=O)C(C#N)CC
InChIInChI=1S/C11H20N2O2/c1-4-10(9-12)11(14)13(5-2)7-8-15-6-3/h10H,4-8H2,1-3H3
InChIKeyZSRZFQHXBOBOQK-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.42
Rot. Bonds7

About 2-cyano-N-(2-ethoxyethyl)-N-ethylbutanamide

2-cyano-N-(2-ethoxyethyl)-N-ethylbutanamide (PubChem CID 55249857) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-cyano-N-(2-ethoxyethyl)-N-ethylbutanamide.

Molecular Properties

Compound Name2-cyano-N-(2-ethoxyethyl)-N-ethylbutanamide
PubChem CID55249857
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-cyano-N-(2-ethoxyethyl)-N-ethylbutanamide
SMILESCCOCCN(CC)C(=O)C(C#N)CC
InChIInChI=1S/C11H20N2O2/c1-4-10(9-12)11(14)13(5-2)7-8-15-6-3/h10H,4-8H2,1-3H3
InChIKeyZSRZFQHXBOBOQK-UHFFFAOYSA-N
XLogP1.42
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.42
H-Bond Donors ≤ 50
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 2-cyano-N-(2-ethoxyethyl)-N-ethylbutanamide?
The IUPAC name of 2-cyano-N-(2-ethoxyethyl)-N-ethylbutanamide (CID 55249857) is 2-cyano-N-(2-ethoxyethyl)-N-ethylbutanamide.
What is the SMILES notation for 2-cyano-N-(2-ethoxyethyl)-N-ethylbutanamide?
The canonical SMILES for 2-cyano-N-(2-ethoxyethyl)-N-ethylbutanamide is CCOCCN(CC)C(=O)C(C#N)CC.
What is the InChIKey of 2-cyano-N-(2-ethoxyethyl)-N-ethylbutanamide?
The InChIKey is ZSRZFQHXBOBOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-10(9-12)11(14)13(5-2)7-8-15-6-3/h10H,4-8H2,1-3H3.
What are the key properties of 2-cyano-N-(2-ethoxyethyl)-N-ethylbutanamide?
2-cyano-N-(2-ethoxyethyl)-N-ethylbutanamide has a molecular weight of 212.29 g/mol, XLogP of 1.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-ethoxyethyl)-N-ethylbutanamide is sourced from PubChem (CID 55249857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).