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

C7H14ClNO2 — CID 61040705

IUPAC3-chloro-N-(2-methoxyethyl)-N-methylpropanamide
SMILESCOCCN(C)C(=O)CCCl
InChIInChI=1S/C7H14ClNO2/c1-9(5-6-11-2)7(10)3-4-8/h3-6H2,1-2H3
InChIKeyCAPGWVHGZDRMCH-UHFFFAOYSA-N
MW179.65 g/mol
LogP0.72
Rot. Bonds5

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

3-chloro-N-(2-methoxyethyl)-N-methylpropanamide (PubChem CID 61040705) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is 3-chloro-N-(2-methoxyethyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-chloro-N-(2-methoxyethyl)-N-methylpropanamide
PubChem CID61040705
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name3-chloro-N-(2-methoxyethyl)-N-methylpropanamide
SMILESCOCCN(C)C(=O)CCCl
InChIInChI=1S/C7H14ClNO2/c1-9(5-6-11-2)7(10)3-4-8/h3-6H2,1-2H3
InChIKeyCAPGWVHGZDRMCH-UHFFFAOYSA-N
XLogP0.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(2-methoxyethyl)-N-methylpentanamide
CID 61040707
3-[2-methoxyethyl(methyl)amino]-3-oxopropanoic acid
CID 62230101
N-(2-methoxyethyl)-N-methyl-4-propan-2-yloxybutanamide
CID 167520317
2-ethoxy-N-(2-methoxyethyl)-N-methylacetamide
CID 61073231
4-chloro-N-(2-ethoxyethyl)-N-methylbutanamide
CID 81059200
N-(2-methoxyethyl)-N-methyl-2-(2-oxopropoxy)acetamide
CID 153486045
3-amino-N-(2-methoxyethyl)-N,3-dimethylbutanamide
CID 64676750
3-chloro-N-methyl-N-(3-phenoxypropyl)propanamide
CID 54874962
3-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide
CID 61127921
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 54875471
N-(2-cyanoethyl)-3-methoxy-N-methylpropanamide
CID 43289311
2-(azetidin-3-yl)-N-(2-methoxyethyl)-N-methylacetamide
CID 64611813

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methoxyethyl)-N-methylpropanamide?
The IUPAC name of 3-chloro-N-(2-methoxyethyl)-N-methylpropanamide (CID 61040705) is 3-chloro-N-(2-methoxyethyl)-N-methylpropanamide.
What is the SMILES notation for 3-chloro-N-(2-methoxyethyl)-N-methylpropanamide?
The canonical SMILES for 3-chloro-N-(2-methoxyethyl)-N-methylpropanamide is COCCN(C)C(=O)CCCl.
What is the InChIKey of 3-chloro-N-(2-methoxyethyl)-N-methylpropanamide?
The InChIKey is CAPGWVHGZDRMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO2/c1-9(5-6-11-2)7(10)3-4-8/h3-6H2,1-2H3.
What are the key properties of 3-chloro-N-(2-methoxyethyl)-N-methylpropanamide?
3-chloro-N-(2-methoxyethyl)-N-methylpropanamide has a molecular weight of 179.65 g/mol, XLogP of 0.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methoxyethyl)-N-methylpropanamide is sourced from PubChem (CID 61040705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).