2-cyano-N-(3-methoxypropyl)-N,3-dimethylbutanamide

C11H20N2O2 — CID 63010234

IUPAC2-cyano-N-(3-methoxypropyl)-N,3-dimethylbutanamide
SMILESCOCCCN(C)C(=O)C(C#N)C(C)C
InChIInChI=1S/C11H20N2O2/c1-9(2)10(8-12)11(14)13(3)6-5-7-15-4/h9-10H,5-7H2,1-4H3
InChIKeyYONOHFNYCZBINN-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.28
Rot. Bonds6

About 2-cyano-N-(3-methoxypropyl)-N,3-dimethylbutanamide

2-cyano-N-(3-methoxypropyl)-N,3-dimethylbutanamide (PubChem CID 63010234) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-cyano-N-(3-methoxypropyl)-N,3-dimethylbutanamide.

Molecular Properties

Compound Name2-cyano-N-(3-methoxypropyl)-N,3-dimethylbutanamide
PubChem CID63010234
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-cyano-N-(3-methoxypropyl)-N,3-dimethylbutanamide
SMILESCOCCCN(C)C(=O)C(C#N)C(C)C
InChIInChI=1S/C11H20N2O2/c1-9(2)10(8-12)11(14)13(3)6-5-7-15-4/h9-10H,5-7H2,1-4H3
InChIKeyYONOHFNYCZBINN-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
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-(3-methoxypropyl)-N,3-dimethylbutanamide?
The IUPAC name of 2-cyano-N-(3-methoxypropyl)-N,3-dimethylbutanamide (CID 63010234) is 2-cyano-N-(3-methoxypropyl)-N,3-dimethylbutanamide.
What is the SMILES notation for 2-cyano-N-(3-methoxypropyl)-N,3-dimethylbutanamide?
The canonical SMILES for 2-cyano-N-(3-methoxypropyl)-N,3-dimethylbutanamide is COCCCN(C)C(=O)C(C#N)C(C)C.
What is the InChIKey of 2-cyano-N-(3-methoxypropyl)-N,3-dimethylbutanamide?
The InChIKey is YONOHFNYCZBINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-9(2)10(8-12)11(14)13(3)6-5-7-15-4/h9-10H,5-7H2,1-4H3.
What are the key properties of 2-cyano-N-(3-methoxypropyl)-N,3-dimethylbutanamide?
2-cyano-N-(3-methoxypropyl)-N,3-dimethylbutanamide has a molecular weight of 212.29 g/mol, XLogP of 1.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3-methoxypropyl)-N,3-dimethylbutanamide is sourced from PubChem (CID 63010234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).