2-cyano-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide

C11H18N2O3 — CID 104708975

IUPAC2-cyano-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide
SMILESCOC1(CNC(=O)C(C)(C)C#N)CCOC1
InChIInChI=1S/C11H18N2O3/c1-10(2,6-12)9(14)13-7-11(15-3)4-5-16-8-11/h4-5,7-8H2,1-3H3,(H,13,14)
InChIKeyCTUHSLSURRUKMY-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.46
Rot. Bonds4

About 2-cyano-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide

2-cyano-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide (PubChem CID 104708975) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-cyano-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-cyano-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide
PubChem CID104708975
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-cyano-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide
SMILESCOC1(CNC(=O)C(C)(C)C#N)CCOC1
InChIInChI=1S/C11H18N2O3/c1-10(2,6-12)9(14)13-7-11(15-3)4-5-16-8-11/h4-5,7-8H2,1-3H3,(H,13,14)
InChIKeyCTUHSLSURRUKMY-UHFFFAOYSA-N
XLogP0.46
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyano-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide 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-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide?
The IUPAC name of 2-cyano-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide (CID 104708975) is 2-cyano-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for 2-cyano-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide?
The canonical SMILES for 2-cyano-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide is COC1(CNC(=O)C(C)(C)C#N)CCOC1.
What is the InChIKey of 2-cyano-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide?
The InChIKey is CTUHSLSURRUKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-10(2,6-12)9(14)13-7-11(15-3)4-5-16-8-11/h4-5,7-8H2,1-3H3,(H,13,14).
What are the key properties of 2-cyano-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide?
2-cyano-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide has a molecular weight of 226.28 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 104708975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).