3-chloro-N-(2-methoxyethyl)-2-methylpropanamide

C7H14ClNO2 — CID 62728807

IUPAC3-chloro-N-(2-methoxyethyl)-2-methylpropanamide
SMILESCOCCNC(=O)C(C)CCl
InChIInChI=1S/C7H14ClNO2/c1-6(5-8)7(10)9-3-4-11-2/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyHLFIXVXXIPVAOF-UHFFFAOYSA-N
MW179.65 g/mol
LogP0.62
Rot. Bonds5

About 3-chloro-N-(2-methoxyethyl)-2-methylpropanamide

3-chloro-N-(2-methoxyethyl)-2-methylpropanamide (PubChem CID 62728807) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is 3-chloro-N-(2-methoxyethyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-chloro-N-(2-methoxyethyl)-2-methylpropanamide
PubChem CID62728807
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name3-chloro-N-(2-methoxyethyl)-2-methylpropanamide
SMILESCOCCNC(=O)C(C)CCl
InChIInChI=1S/C7H14ClNO2/c1-6(5-8)7(10)9-3-4-11-2/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyHLFIXVXXIPVAOF-UHFFFAOYSA-N
XLogP0.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methoxyethyl)-2-methylpropanamide?
The IUPAC name of 3-chloro-N-(2-methoxyethyl)-2-methylpropanamide (CID 62728807) is 3-chloro-N-(2-methoxyethyl)-2-methylpropanamide.
What is the SMILES notation for 3-chloro-N-(2-methoxyethyl)-2-methylpropanamide?
The canonical SMILES for 3-chloro-N-(2-methoxyethyl)-2-methylpropanamide is COCCNC(=O)C(C)CCl.
What is the InChIKey of 3-chloro-N-(2-methoxyethyl)-2-methylpropanamide?
The InChIKey is HLFIXVXXIPVAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO2/c1-6(5-8)7(10)9-3-4-11-2/h6H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 3-chloro-N-(2-methoxyethyl)-2-methylpropanamide?
3-chloro-N-(2-methoxyethyl)-2-methylpropanamide has a molecular weight of 179.65 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methoxyethyl)-2-methylpropanamide is sourced from PubChem (CID 62728807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).