2-cyano-2-methyl-N-(oxolan-3-ylmethyl)butanamide

C11H18N2O2 — CID 114291445

IUPAC2-cyano-2-methyl-N-(oxolan-3-ylmethyl)butanamide
SMILESCCC(C)(C#N)C(=O)NCC1CCOC1
InChIInChI=1S/C11H18N2O2/c1-3-11(2,8-12)10(14)13-6-9-4-5-15-7-9/h9H,3-7H2,1-2H3,(H,13,14)
InChIKeyNSBLFILFOSUACL-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.08
Rot. Bonds4

About 2-cyano-2-methyl-N-(oxolan-3-ylmethyl)butanamide

2-cyano-2-methyl-N-(oxolan-3-ylmethyl)butanamide (PubChem CID 114291445) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-cyano-2-methyl-N-(oxolan-3-ylmethyl)butanamide.

Molecular Properties

Compound Name2-cyano-2-methyl-N-(oxolan-3-ylmethyl)butanamide
PubChem CID114291445
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-cyano-2-methyl-N-(oxolan-3-ylmethyl)butanamide
SMILESCCC(C)(C#N)C(=O)NCC1CCOC1
InChIInChI=1S/C11H18N2O2/c1-3-11(2,8-12)10(14)13-6-9-4-5-15-7-9/h9H,3-7H2,1-2H3,(H,13,14)
InChIKeyNSBLFILFOSUACL-UHFFFAOYSA-N
XLogP1.08
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyano-2-methyl-N-(oxolan-3-ylmethyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-methyl-N-(oxolan-3-ylmethyl)butanamide?
The IUPAC name of 2-cyano-2-methyl-N-(oxolan-3-ylmethyl)butanamide (CID 114291445) is 2-cyano-2-methyl-N-(oxolan-3-ylmethyl)butanamide.
What is the SMILES notation for 2-cyano-2-methyl-N-(oxolan-3-ylmethyl)butanamide?
The canonical SMILES for 2-cyano-2-methyl-N-(oxolan-3-ylmethyl)butanamide is CCC(C)(C#N)C(=O)NCC1CCOC1.
What is the InChIKey of 2-cyano-2-methyl-N-(oxolan-3-ylmethyl)butanamide?
The InChIKey is NSBLFILFOSUACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-11(2,8-12)10(14)13-6-9-4-5-15-7-9/h9H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-cyano-2-methyl-N-(oxolan-3-ylmethyl)butanamide?
2-cyano-2-methyl-N-(oxolan-3-ylmethyl)butanamide has a molecular weight of 210.28 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-methyl-N-(oxolan-3-ylmethyl)butanamide is sourced from PubChem (CID 114291445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).