6-chloro-N,N-bis(2-ethylhexyl)hexanamide

C22H44ClNO — CID 533345

IUPAC6-chloro-N,N-bis(2-ethylhexyl)hexanamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)CCCCCCl
InChIInChI=1S/C22H44ClNO/c1-5-9-14-20(7-3)18-24(19-21(8-4)15-10-6-2)22(25)16-12-11-13-17-23/h20-21H,5-19H2,1-4H3
InChIKeyQIAXMLYRWAMPLX-UHFFFAOYSA-N
MW374.05 g/mol
LogP7.05
Rot. Bonds17

About 6-chloro-N,N-bis(2-ethylhexyl)hexanamide

6-chloro-N,N-bis(2-ethylhexyl)hexanamide (PubChem CID 533345) has the molecular formula C22H44ClNO and a molecular weight of 374.05 g/mol. Its IUPAC name is 6-chloro-N,N-bis(2-ethylhexyl)hexanamide.

Molecular Properties

Compound Name6-chloro-N,N-bis(2-ethylhexyl)hexanamide
PubChem CID533345
Molecular FormulaC22H44ClNO
Molecular Weight374.05 g/mol
Exact Mass373.31
IUPAC Name6-chloro-N,N-bis(2-ethylhexyl)hexanamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)CCCCCCl
InChIInChI=1S/C22H44ClNO/c1-5-9-14-20(7-3)18-24(19-21(8-4)15-10-6-2)22(25)16-12-11-13-17-23/h20-21H,5-19H2,1-4H3
InChIKeyQIAXMLYRWAMPLX-UHFFFAOYSA-N
XLogP7.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.05
LogP ≤ 57.05
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,N-bis(2-ethylhexyl)hexanamide?
The IUPAC name of 6-chloro-N,N-bis(2-ethylhexyl)hexanamide (CID 533345) is 6-chloro-N,N-bis(2-ethylhexyl)hexanamide.
What is the SMILES notation for 6-chloro-N,N-bis(2-ethylhexyl)hexanamide?
The canonical SMILES for 6-chloro-N,N-bis(2-ethylhexyl)hexanamide is CCCCC(CC)CN(CC(CC)CCCC)C(=O)CCCCCCl.
What is the InChIKey of 6-chloro-N,N-bis(2-ethylhexyl)hexanamide?
The InChIKey is QIAXMLYRWAMPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44ClNO/c1-5-9-14-20(7-3)18-24(19-21(8-4)15-10-6-2)22(25)16-12-11-13-17-23/h20-21H,5-19H2,1-4H3.
What are the key properties of 6-chloro-N,N-bis(2-ethylhexyl)hexanamide?
6-chloro-N,N-bis(2-ethylhexyl)hexanamide has a molecular weight of 374.05 g/mol, XLogP of 7.05, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-bis(2-ethylhexyl)hexanamide is sourced from PubChem (CID 533345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).