2-cyano-N,2-diethyl-N-(2-methoxyethyl)butanamide

C12H22N2O2 — CID 55208246

IUPAC2-cyano-N,2-diethyl-N-(2-methoxyethyl)butanamide
SMILESCCN(CCOC)C(=O)C(C#N)(CC)CC
InChIInChI=1S/C12H22N2O2/c1-5-12(6-2,10-13)11(15)14(7-3)8-9-16-4/h5-9H2,1-4H3
InChIKeyBZVBMVSSLOCQLQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.81
Rot. Bonds7

About 2-cyano-N,2-diethyl-N-(2-methoxyethyl)butanamide

2-cyano-N,2-diethyl-N-(2-methoxyethyl)butanamide (PubChem CID 55208246) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-cyano-N,2-diethyl-N-(2-methoxyethyl)butanamide.

Molecular Properties

Compound Name2-cyano-N,2-diethyl-N-(2-methoxyethyl)butanamide
PubChem CID55208246
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-cyano-N,2-diethyl-N-(2-methoxyethyl)butanamide
SMILESCCN(CCOC)C(=O)C(C#N)(CC)CC
InChIInChI=1S/C12H22N2O2/c1-5-12(6-2,10-13)11(15)14(7-3)8-9-16-4/h5-9H2,1-4H3
InChIKeyBZVBMVSSLOCQLQ-UHFFFAOYSA-N
XLogP1.81
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N,2-diethyl-N-(2-methoxyethyl)butanamide?
The IUPAC name of 2-cyano-N,2-diethyl-N-(2-methoxyethyl)butanamide (CID 55208246) is 2-cyano-N,2-diethyl-N-(2-methoxyethyl)butanamide.
What is the SMILES notation for 2-cyano-N,2-diethyl-N-(2-methoxyethyl)butanamide?
The canonical SMILES for 2-cyano-N,2-diethyl-N-(2-methoxyethyl)butanamide is CCN(CCOC)C(=O)C(C#N)(CC)CC.
What is the InChIKey of 2-cyano-N,2-diethyl-N-(2-methoxyethyl)butanamide?
The InChIKey is BZVBMVSSLOCQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-5-12(6-2,10-13)11(15)14(7-3)8-9-16-4/h5-9H2,1-4H3.
What are the key properties of 2-cyano-N,2-diethyl-N-(2-methoxyethyl)butanamide?
2-cyano-N,2-diethyl-N-(2-methoxyethyl)butanamide has a molecular weight of 226.32 g/mol, XLogP of 1.81, 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-diethyl-N-(2-methoxyethyl)butanamide is sourced from PubChem (CID 55208246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).