4-chloro-N-(2-ethoxyethyl)-N-methylbutanamide

C9H18ClNO2 — CID 81059200

IUPAC4-chloro-N-(2-ethoxyethyl)-N-methylbutanamide
SMILESCCOCCN(C)C(=O)CCCCl
InChIInChI=1S/C9H18ClNO2/c1-3-13-8-7-11(2)9(12)5-4-6-10/h3-8H2,1-2H3
InChIKeySKBVVAODESRBOC-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.50
Rot. Bonds7

About 4-chloro-N-(2-ethoxyethyl)-N-methylbutanamide

4-chloro-N-(2-ethoxyethyl)-N-methylbutanamide (PubChem CID 81059200) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is 4-chloro-N-(2-ethoxyethyl)-N-methylbutanamide.

Molecular Properties

Compound Name4-chloro-N-(2-ethoxyethyl)-N-methylbutanamide
PubChem CID81059200
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Name4-chloro-N-(2-ethoxyethyl)-N-methylbutanamide
SMILESCCOCCN(C)C(=O)CCCCl
InChIInChI=1S/C9H18ClNO2/c1-3-13-8-7-11(2)9(12)5-4-6-10/h3-8H2,1-2H3
InChIKeySKBVVAODESRBOC-UHFFFAOYSA-N
XLogP1.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.50
H-Bond Donors ≤ 50
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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Related Compounds

4-amino-N-(2-ethoxyethyl)-N-methylbutanamide
CID 81058942
6-amino-N-(2-ethoxyethyl)-N-methylhexanamide
CID 81059139
5-chloro-N-(2-methoxyethyl)-N-methylpentanamide
CID 61040707
3-amino-N-(2-ethoxyethyl)-N-methylpropanamide
CID 81058300
N-(2-ethoxyethyl)-N-methyl-3-(methylamino)propanamide
CID 81058236
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307950
3-chloro-N-(2-methoxyethyl)-N-methylpropanamide
CID 61040705
4-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307914
ethane;2-[3-ethoxypropanoyl(methyl)amino]ethyl acetate
CID 142463772
2-[2-ethoxyethyl(methyl)amino]-2-oxoacetic acid
CID 81061794
methyl 4-[3-ethoxypropanoyl(methyl)amino]butanoate
CID 55210221
N-(5-aminopentyl)-3-ethoxy-N-methylpropanamide
CID 107206617

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-ethoxyethyl)-N-methylbutanamide?
The IUPAC name of 4-chloro-N-(2-ethoxyethyl)-N-methylbutanamide (CID 81059200) is 4-chloro-N-(2-ethoxyethyl)-N-methylbutanamide.
What is the SMILES notation for 4-chloro-N-(2-ethoxyethyl)-N-methylbutanamide?
The canonical SMILES for 4-chloro-N-(2-ethoxyethyl)-N-methylbutanamide is CCOCCN(C)C(=O)CCCCl.
What is the InChIKey of 4-chloro-N-(2-ethoxyethyl)-N-methylbutanamide?
The InChIKey is SKBVVAODESRBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO2/c1-3-13-8-7-11(2)9(12)5-4-6-10/h3-8H2,1-2H3.
What are the key properties of 4-chloro-N-(2-ethoxyethyl)-N-methylbutanamide?
4-chloro-N-(2-ethoxyethyl)-N-methylbutanamide has a molecular weight of 207.70 g/mol, XLogP of 1.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-ethoxyethyl)-N-methylbutanamide is sourced from PubChem (CID 81059200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).