5-chloro-N-(2-methoxyethyl)-N-methylpentanamide

C9H18ClNO2 — CID 61040707

IUPAC5-chloro-N-(2-methoxyethyl)-N-methylpentanamide
SMILESCOCCN(C)C(=O)CCCCCl
InChIInChI=1S/C9H18ClNO2/c1-11(7-8-13-2)9(12)5-3-4-6-10/h3-8H2,1-2H3
InChIKeyVXSFQCWYXBOLJQ-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.50
Rot. Bonds7

About 5-chloro-N-(2-methoxyethyl)-N-methylpentanamide

5-chloro-N-(2-methoxyethyl)-N-methylpentanamide (PubChem CID 61040707) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is 5-chloro-N-(2-methoxyethyl)-N-methylpentanamide.

Molecular Properties

Compound Name5-chloro-N-(2-methoxyethyl)-N-methylpentanamide
PubChem CID61040707
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Name5-chloro-N-(2-methoxyethyl)-N-methylpentanamide
SMILESCOCCN(C)C(=O)CCCCCl
InChIInChI=1S/C9H18ClNO2/c1-11(7-8-13-2)9(12)5-3-4-6-10/h3-8H2,1-2H3
InChIKeyVXSFQCWYXBOLJQ-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

3-chloro-N-(2-methoxyethyl)-N-methylpropanamide
CID 61040705
4-chloro-N-(2-ethoxyethyl)-N-methylbutanamide
CID 81059200
N-(2-methoxyethyl)-N-methyl-4-propan-2-yloxybutanamide
CID 167520317
5-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpentanamide
CID 43346690
ethyl 2-[5-chloropentanoyl(2-methoxyethyl)amino]acetate
CID 54875632
5-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 54875239
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307950
4-chloro-N-(2-methoxyethyl)-N-prop-2-enylbutanamide
CID 103338580
3-[2-methoxyethyl(methyl)amino]-3-oxopropanoic acid
CID 62230101
5-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpentanamide
CID 54875454
4-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307914
3-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide
CID 61127921

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methoxyethyl)-N-methylpentanamide?
The IUPAC name of 5-chloro-N-(2-methoxyethyl)-N-methylpentanamide (CID 61040707) is 5-chloro-N-(2-methoxyethyl)-N-methylpentanamide.
What is the SMILES notation for 5-chloro-N-(2-methoxyethyl)-N-methylpentanamide?
The canonical SMILES for 5-chloro-N-(2-methoxyethyl)-N-methylpentanamide is COCCN(C)C(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-(2-methoxyethyl)-N-methylpentanamide?
The InChIKey is VXSFQCWYXBOLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO2/c1-11(7-8-13-2)9(12)5-3-4-6-10/h3-8H2,1-2H3.
What are the key properties of 5-chloro-N-(2-methoxyethyl)-N-methylpentanamide?
5-chloro-N-(2-methoxyethyl)-N-methylpentanamide 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 5-chloro-N-(2-methoxyethyl)-N-methylpentanamide is sourced from PubChem (CID 61040707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).