6-chloro-N-ethyl-N-propylhexanamide

C11H22ClNO — CID 91693897

IUPAC6-chloro-N-ethyl-N-propylhexanamide
SMILESCCCN(CC)C(=O)CCCCCCl
InChIInChI=1S/C11H22ClNO/c1-3-10-13(4-2)11(14)8-6-5-7-9-12/h3-10H2,1-2H3
InChIKeyLQMQITHYAYOMHH-UHFFFAOYSA-N
MW219.76 g/mol
LogP3.04
Rot. Bonds8

About 6-chloro-N-ethyl-N-propylhexanamide

6-chloro-N-ethyl-N-propylhexanamide (PubChem CID 91693897) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 6-chloro-N-ethyl-N-propylhexanamide.

Molecular Properties

Compound Name6-chloro-N-ethyl-N-propylhexanamide
PubChem CID91693897
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name6-chloro-N-ethyl-N-propylhexanamide
SMILESCCCN(CC)C(=O)CCCCCCl
InChIInChI=1S/C11H22ClNO/c1-3-10-13(4-2)11(14)8-6-5-7-9-12/h3-10H2,1-2H3
InChIKeyLQMQITHYAYOMHH-UHFFFAOYSA-N
XLogP3.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 6-chloro-N-ethyl-N-propylhexanamide?
The IUPAC name of 6-chloro-N-ethyl-N-propylhexanamide (CID 91693897) is 6-chloro-N-ethyl-N-propylhexanamide.
What is the SMILES notation for 6-chloro-N-ethyl-N-propylhexanamide?
The canonical SMILES for 6-chloro-N-ethyl-N-propylhexanamide is CCCN(CC)C(=O)CCCCCCl.
What is the InChIKey of 6-chloro-N-ethyl-N-propylhexanamide?
The InChIKey is LQMQITHYAYOMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-3-10-13(4-2)11(14)8-6-5-7-9-12/h3-10H2,1-2H3.
What are the key properties of 6-chloro-N-ethyl-N-propylhexanamide?
6-chloro-N-ethyl-N-propylhexanamide has a molecular weight of 219.76 g/mol, XLogP of 3.04, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-N-propylhexanamide is sourced from PubChem (CID 91693897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).