N-(2-cyanoethyl)-N-ethyl-3-methoxy-3-methylbutanamide

C11H20N2O2 — CID 103020135

IUPACN-(2-cyanoethyl)-N-ethyl-3-methoxy-3-methylbutanamide
SMILESCCN(CCC#N)C(=O)CC(C)(C)OC
InChIInChI=1S/C11H20N2O2/c1-5-13(8-6-7-12)10(14)9-11(2,3)15-4/h5-6,8-9H2,1-4H3
InChIKeyPUOMIBZEBKCTLA-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.56
Rot. Bonds6

About N-(2-cyanoethyl)-N-ethyl-3-methoxy-3-methylbutanamide

N-(2-cyanoethyl)-N-ethyl-3-methoxy-3-methylbutanamide (PubChem CID 103020135) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-ethyl-3-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-ethyl-3-methoxy-3-methylbutanamide
PubChem CID103020135
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-(2-cyanoethyl)-N-ethyl-3-methoxy-3-methylbutanamide
SMILESCCN(CCC#N)C(=O)CC(C)(C)OC
InChIInChI=1S/C11H20N2O2/c1-5-13(8-6-7-12)10(14)9-11(2,3)15-4/h5-6,8-9H2,1-4H3
InChIKeyPUOMIBZEBKCTLA-UHFFFAOYSA-N
XLogP1.56
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-ethyl-3-methoxy-3-methylbutanamide?
The IUPAC name of N-(2-cyanoethyl)-N-ethyl-3-methoxy-3-methylbutanamide (CID 103020135) is N-(2-cyanoethyl)-N-ethyl-3-methoxy-3-methylbutanamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-ethyl-3-methoxy-3-methylbutanamide?
The canonical SMILES for N-(2-cyanoethyl)-N-ethyl-3-methoxy-3-methylbutanamide is CCN(CCC#N)C(=O)CC(C)(C)OC.
What is the InChIKey of N-(2-cyanoethyl)-N-ethyl-3-methoxy-3-methylbutanamide?
The InChIKey is PUOMIBZEBKCTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-5-13(8-6-7-12)10(14)9-11(2,3)15-4/h5-6,8-9H2,1-4H3.
What are the key properties of N-(2-cyanoethyl)-N-ethyl-3-methoxy-3-methylbutanamide?
N-(2-cyanoethyl)-N-ethyl-3-methoxy-3-methylbutanamide has a molecular weight of 212.29 g/mol, XLogP of 1.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-ethyl-3-methoxy-3-methylbutanamide is sourced from PubChem (CID 103020135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).