N-(2-cyanoethyl)-3-methoxy-N,3-dimethylbutanamide

C10H18N2O2 — CID 103020085

IUPACN-(2-cyanoethyl)-3-methoxy-N,3-dimethylbutanamide
SMILESCOC(C)(C)CC(=O)N(C)CCC#N
InChIInChI=1S/C10H18N2O2/c1-10(2,14-4)8-9(13)12(3)7-5-6-11/h5,7-8H2,1-4H3
InChIKeyZHWACXJCTUQBJS-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.17
Rot. Bonds5

About N-(2-cyanoethyl)-3-methoxy-N,3-dimethylbutanamide

N-(2-cyanoethyl)-3-methoxy-N,3-dimethylbutanamide (PubChem CID 103020085) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3-methoxy-N,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3-methoxy-N,3-dimethylbutanamide
PubChem CID103020085
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-(2-cyanoethyl)-3-methoxy-N,3-dimethylbutanamide
SMILESCOC(C)(C)CC(=O)N(C)CCC#N
InChIInChI=1S/C10H18N2O2/c1-10(2,14-4)8-9(13)12(3)7-5-6-11/h5,7-8H2,1-4H3
InChIKeyZHWACXJCTUQBJS-UHFFFAOYSA-N
XLogP1.17
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3-methoxy-N,3-dimethylbutanamide?
The IUPAC name of N-(2-cyanoethyl)-3-methoxy-N,3-dimethylbutanamide (CID 103020085) is N-(2-cyanoethyl)-3-methoxy-N,3-dimethylbutanamide.
What is the SMILES notation for N-(2-cyanoethyl)-3-methoxy-N,3-dimethylbutanamide?
The canonical SMILES for N-(2-cyanoethyl)-3-methoxy-N,3-dimethylbutanamide is COC(C)(C)CC(=O)N(C)CCC#N.
What is the InChIKey of N-(2-cyanoethyl)-3-methoxy-N,3-dimethylbutanamide?
The InChIKey is ZHWACXJCTUQBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-10(2,14-4)8-9(13)12(3)7-5-6-11/h5,7-8H2,1-4H3.
What are the key properties of N-(2-cyanoethyl)-3-methoxy-N,3-dimethylbutanamide?
N-(2-cyanoethyl)-3-methoxy-N,3-dimethylbutanamide has a molecular weight of 198.27 g/mol, XLogP of 1.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-3-methoxy-N,3-dimethylbutanamide is sourced from PubChem (CID 103020085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).