5-chloro-N-(3-methoxypropyl)-N-methylpentanamide

C10H20ClNO2 — CID 63008197

IUPAC5-chloro-N-(3-methoxypropyl)-N-methylpentanamide
SMILESCOCCCN(C)C(=O)CCCCCl
InChIInChI=1S/C10H20ClNO2/c1-12(8-5-9-14-2)10(13)6-3-4-7-11/h3-9H2,1-2H3
InChIKeyJHLAJYMZYCTQLF-UHFFFAOYSA-N
MW221.73 g/mol
LogP1.89
Rot. Bonds8

About 5-chloro-N-(3-methoxypropyl)-N-methylpentanamide

5-chloro-N-(3-methoxypropyl)-N-methylpentanamide (PubChem CID 63008197) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is 5-chloro-N-(3-methoxypropyl)-N-methylpentanamide.

Molecular Properties

Compound Name5-chloro-N-(3-methoxypropyl)-N-methylpentanamide
PubChem CID63008197
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Name5-chloro-N-(3-methoxypropyl)-N-methylpentanamide
SMILESCOCCCN(C)C(=O)CCCCCl
InChIInChI=1S/C10H20ClNO2/c1-12(8-5-9-14-2)10(13)6-3-4-7-11/h3-9H2,1-2H3
InChIKeyJHLAJYMZYCTQLF-UHFFFAOYSA-N
XLogP1.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 51.89
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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-methoxypropyl)-N-methylpentanamide?
The IUPAC name of 5-chloro-N-(3-methoxypropyl)-N-methylpentanamide (CID 63008197) is 5-chloro-N-(3-methoxypropyl)-N-methylpentanamide.
What is the SMILES notation for 5-chloro-N-(3-methoxypropyl)-N-methylpentanamide?
The canonical SMILES for 5-chloro-N-(3-methoxypropyl)-N-methylpentanamide is COCCCN(C)C(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-(3-methoxypropyl)-N-methylpentanamide?
The InChIKey is JHLAJYMZYCTQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2/c1-12(8-5-9-14-2)10(13)6-3-4-7-11/h3-9H2,1-2H3.
What are the key properties of 5-chloro-N-(3-methoxypropyl)-N-methylpentanamide?
5-chloro-N-(3-methoxypropyl)-N-methylpentanamide has a molecular weight of 221.73 g/mol, XLogP of 1.89, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-methoxypropyl)-N-methylpentanamide is sourced from PubChem (CID 63008197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).