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

C11H20N2O2 — CID 103020137

IUPACN-(2-cyanopropyl)-3-methoxy-N,3-dimethylbutanamide
SMILESCOC(C)(C)CC(=O)N(C)CC(C)C#N
InChIInChI=1S/C11H20N2O2/c1-9(7-12)8-13(4)10(14)6-11(2,3)15-5/h9H,6,8H2,1-5H3
InChIKeyZBDCDALXNZXSMU-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.42
Rot. Bonds5

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

N-(2-cyanopropyl)-3-methoxy-N,3-dimethylbutanamide (PubChem CID 103020137) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-(2-cyanopropyl)-3-methoxy-N,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-3-methoxy-N,3-dimethylbutanamide
PubChem CID103020137
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-(2-cyanopropyl)-3-methoxy-N,3-dimethylbutanamide
SMILESCOC(C)(C)CC(=O)N(C)CC(C)C#N
InChIInChI=1S/C11H20N2O2/c1-9(7-12)8-13(4)10(14)6-11(2,3)15-5/h9H,6,8H2,1-5H3
InChIKeyZBDCDALXNZXSMU-UHFFFAOYSA-N
XLogP1.42
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-3-methoxy-N,3-dimethylbutanamide?
The IUPAC name of N-(2-cyanopropyl)-3-methoxy-N,3-dimethylbutanamide (CID 103020137) is N-(2-cyanopropyl)-3-methoxy-N,3-dimethylbutanamide.
What is the SMILES notation for N-(2-cyanopropyl)-3-methoxy-N,3-dimethylbutanamide?
The canonical SMILES for N-(2-cyanopropyl)-3-methoxy-N,3-dimethylbutanamide is COC(C)(C)CC(=O)N(C)CC(C)C#N.
What is the InChIKey of N-(2-cyanopropyl)-3-methoxy-N,3-dimethylbutanamide?
The InChIKey is ZBDCDALXNZXSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-9(7-12)8-13(4)10(14)6-11(2,3)15-5/h9H,6,8H2,1-5H3.
What are the key properties of N-(2-cyanopropyl)-3-methoxy-N,3-dimethylbutanamide?
N-(2-cyanopropyl)-3-methoxy-N,3-dimethylbutanamide has a molecular weight of 212.29 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-3-methoxy-N,3-dimethylbutanamide is sourced from PubChem (CID 103020137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).