2-cyano-2-ethyl-N-methyl-N-(3-methylbutyl)butanamide

C13H24N2O — CID 55208122

IUPAC2-cyano-2-ethyl-N-methyl-N-(3-methylbutyl)butanamide
SMILESCCC(C#N)(CC)C(=O)N(C)CCC(C)C
InChIInChI=1S/C13H24N2O/c1-6-13(7-2,10-14)12(16)15(5)9-8-11(3)4/h11H,6-9H2,1-5H3
InChIKeyOBYKRDVDHVOPQF-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.82
Rot. Bonds6

About 2-cyano-2-ethyl-N-methyl-N-(3-methylbutyl)butanamide

2-cyano-2-ethyl-N-methyl-N-(3-methylbutyl)butanamide (PubChem CID 55208122) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-cyano-2-ethyl-N-methyl-N-(3-methylbutyl)butanamide.

Molecular Properties

Compound Name2-cyano-2-ethyl-N-methyl-N-(3-methylbutyl)butanamide
PubChem CID55208122
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-cyano-2-ethyl-N-methyl-N-(3-methylbutyl)butanamide
SMILESCCC(C#N)(CC)C(=O)N(C)CCC(C)C
InChIInChI=1S/C13H24N2O/c1-6-13(7-2,10-14)12(16)15(5)9-8-11(3)4/h11H,6-9H2,1-5H3
InChIKeyOBYKRDVDHVOPQF-UHFFFAOYSA-N
XLogP2.82
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-ethyl-N-methyl-N-(3-methylbutyl)butanamide?
The IUPAC name of 2-cyano-2-ethyl-N-methyl-N-(3-methylbutyl)butanamide (CID 55208122) is 2-cyano-2-ethyl-N-methyl-N-(3-methylbutyl)butanamide.
What is the SMILES notation for 2-cyano-2-ethyl-N-methyl-N-(3-methylbutyl)butanamide?
The canonical SMILES for 2-cyano-2-ethyl-N-methyl-N-(3-methylbutyl)butanamide is CCC(C#N)(CC)C(=O)N(C)CCC(C)C.
What is the InChIKey of 2-cyano-2-ethyl-N-methyl-N-(3-methylbutyl)butanamide?
The InChIKey is OBYKRDVDHVOPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-6-13(7-2,10-14)12(16)15(5)9-8-11(3)4/h11H,6-9H2,1-5H3.
What are the key properties of 2-cyano-2-ethyl-N-methyl-N-(3-methylbutyl)butanamide?
2-cyano-2-ethyl-N-methyl-N-(3-methylbutyl)butanamide has a molecular weight of 224.35 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-ethyl-N-methyl-N-(3-methylbutyl)butanamide is sourced from PubChem (CID 55208122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).