3-chloro-N-(2-methoxyethyl)-2,2-dimethylpropanamide

C8H16ClNO2 — CID 63679752

IUPAC3-chloro-N-(2-methoxyethyl)-2,2-dimethylpropanamide
SMILESCOCCNC(=O)C(C)(C)CCl
InChIInChI=1S/C8H16ClNO2/c1-8(2,6-9)7(11)10-4-5-12-3/h4-6H2,1-3H3,(H,10,11)
InChIKeyCHXHTTIQFQGPAJ-UHFFFAOYSA-N
MW193.67 g/mol
LogP1.01
Rot. Bonds5

About 3-chloro-N-(2-methoxyethyl)-2,2-dimethylpropanamide

3-chloro-N-(2-methoxyethyl)-2,2-dimethylpropanamide (PubChem CID 63679752) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is 3-chloro-N-(2-methoxyethyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-(2-methoxyethyl)-2,2-dimethylpropanamide
PubChem CID63679752
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Name3-chloro-N-(2-methoxyethyl)-2,2-dimethylpropanamide
SMILESCOCCNC(=O)C(C)(C)CCl
InChIInChI=1S/C8H16ClNO2/c1-8(2,6-9)7(11)10-4-5-12-3/h4-6H2,1-3H3,(H,10,11)
InChIKeyCHXHTTIQFQGPAJ-UHFFFAOYSA-N
XLogP1.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 51.01
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)-2,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-(2-methoxyethyl)-2,2-dimethylpropanamide (CID 63679752) is 3-chloro-N-(2-methoxyethyl)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-(2-methoxyethyl)-2,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-(2-methoxyethyl)-2,2-dimethylpropanamide is COCCNC(=O)C(C)(C)CCl.
What is the InChIKey of 3-chloro-N-(2-methoxyethyl)-2,2-dimethylpropanamide?
The InChIKey is CHXHTTIQFQGPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO2/c1-8(2,6-9)7(11)10-4-5-12-3/h4-6H2,1-3H3,(H,10,11).
What are the key properties of 3-chloro-N-(2-methoxyethyl)-2,2-dimethylpropanamide?
3-chloro-N-(2-methoxyethyl)-2,2-dimethylpropanamide has a molecular weight of 193.67 g/mol, XLogP of 1.01, 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)-2,2-dimethylpropanamide is sourced from PubChem (CID 63679752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).