3-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide

C11H20ClNO3 — CID 104759841

IUPAC3-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide
SMILESCOC1(CNC(=O)C(C)(C)CCl)CCOC1
InChIInChI=1S/C11H20ClNO3/c1-10(2,6-12)9(14)13-7-11(15-3)4-5-16-8-11/h4-8H2,1-3H3,(H,13,14)
InChIKeyUCJGJDLBIIVINY-UHFFFAOYSA-N
MW249.74 g/mol
LogP1.17
Rot. Bonds5

About 3-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide

3-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide (PubChem CID 104759841) has the molecular formula C11H20ClNO3 and a molecular weight of 249.74 g/mol. Its IUPAC name is 3-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide
PubChem CID104759841
Molecular FormulaC11H20ClNO3
Molecular Weight249.74 g/mol
Exact Mass249.11
IUPAC Name3-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide
SMILESCOC1(CNC(=O)C(C)(C)CCl)CCOC1
InChIInChI=1S/C11H20ClNO3/c1-10(2,6-12)9(14)13-7-11(15-3)4-5-16-8-11/h4-8H2,1-3H3,(H,13,14)
InChIKeyUCJGJDLBIIVINY-UHFFFAOYSA-N
XLogP1.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide (CID 104759841) is 3-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide is COC1(CNC(=O)C(C)(C)CCl)CCOC1.
What is the InChIKey of 3-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide?
The InChIKey is UCJGJDLBIIVINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO3/c1-10(2,6-12)9(14)13-7-11(15-3)4-5-16-8-11/h4-8H2,1-3H3,(H,13,14).
What are the key properties of 3-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide?
3-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide has a molecular weight of 249.74 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 104759841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).