6-chloro-N-ethyl-N-(2-ethylhexyl)hexanamide

C16H32ClNO — CID 91693945

IUPAC6-chloro-N-ethyl-N-(2-ethylhexyl)hexanamide
SMILESCCCCC(CC)CN(CC)C(=O)CCCCCCl
InChIInChI=1S/C16H32ClNO/c1-4-7-11-15(5-2)14-18(6-3)16(19)12-9-8-10-13-17/h15H,4-14H2,1-3H3
InChIKeySFMJHCLAXLVSGA-UHFFFAOYSA-N
MW289.89 g/mol
LogP4.85
Rot. Bonds12

About 6-chloro-N-ethyl-N-(2-ethylhexyl)hexanamide

6-chloro-N-ethyl-N-(2-ethylhexyl)hexanamide (PubChem CID 91693945) has the molecular formula C16H32ClNO and a molecular weight of 289.89 g/mol. Its IUPAC name is 6-chloro-N-ethyl-N-(2-ethylhexyl)hexanamide.

Molecular Properties

Compound Name6-chloro-N-ethyl-N-(2-ethylhexyl)hexanamide
PubChem CID91693945
Molecular FormulaC16H32ClNO
Molecular Weight289.89 g/mol
Exact Mass289.22
IUPAC Name6-chloro-N-ethyl-N-(2-ethylhexyl)hexanamide
SMILESCCCCC(CC)CN(CC)C(=O)CCCCCCl
InChIInChI=1S/C16H32ClNO/c1-4-7-11-15(5-2)14-18(6-3)16(19)12-9-8-10-13-17/h15H,4-14H2,1-3H3
InChIKeySFMJHCLAXLVSGA-UHFFFAOYSA-N
XLogP4.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.89
LogP ≤ 54.85
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-(2-ethylhexyl)hexanamide?
The IUPAC name of 6-chloro-N-ethyl-N-(2-ethylhexyl)hexanamide (CID 91693945) is 6-chloro-N-ethyl-N-(2-ethylhexyl)hexanamide.
What is the SMILES notation for 6-chloro-N-ethyl-N-(2-ethylhexyl)hexanamide?
The canonical SMILES for 6-chloro-N-ethyl-N-(2-ethylhexyl)hexanamide is CCCCC(CC)CN(CC)C(=O)CCCCCCl.
What is the InChIKey of 6-chloro-N-ethyl-N-(2-ethylhexyl)hexanamide?
The InChIKey is SFMJHCLAXLVSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32ClNO/c1-4-7-11-15(5-2)14-18(6-3)16(19)12-9-8-10-13-17/h15H,4-14H2,1-3H3.
What are the key properties of 6-chloro-N-ethyl-N-(2-ethylhexyl)hexanamide?
6-chloro-N-ethyl-N-(2-ethylhexyl)hexanamide has a molecular weight of 289.89 g/mol, XLogP of 4.85, 12 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-(2-ethylhexyl)hexanamide is sourced from PubChem (CID 91693945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).