2-ethyl-N-[8-(2-ethylhexanoylamino)octyl]hexanamide

C24H48N2O2 — CID 3407037

IUPAC2-ethyl-N-[8-(2-ethylhexanoylamino)octyl]hexanamide
SMILESCCCCC(CC)C(=O)NCCCCCCCCNC(=O)C(CC)CCCC
InChIInChI=1S/C24H48N2O2/c1-5-9-17-21(7-3)23(27)25-19-15-13-11-12-14-16-20-26-24(28)22(8-4)18-10-6-2/h21-22H,5-20H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyPGGIIOXWVBFEJQ-UHFFFAOYSA-N
MW396.66 g/mol
LogP5.99
Rot. Bonds19

About 2-ethyl-N-[8-(2-ethylhexanoylamino)octyl]hexanamide

2-ethyl-N-[8-(2-ethylhexanoylamino)octyl]hexanamide (PubChem CID 3407037) has the molecular formula C24H48N2O2 and a molecular weight of 396.66 g/mol. Its IUPAC name is 2-ethyl-N-[8-(2-ethylhexanoylamino)octyl]hexanamide.

Molecular Properties

Compound Name2-ethyl-N-[8-(2-ethylhexanoylamino)octyl]hexanamide
PubChem CID3407037
Molecular FormulaC24H48N2O2
Molecular Weight396.66 g/mol
Exact Mass396.37
IUPAC Name2-ethyl-N-[8-(2-ethylhexanoylamino)octyl]hexanamide
SMILESCCCCC(CC)C(=O)NCCCCCCCCNC(=O)C(CC)CCCC
InChIInChI=1S/C24H48N2O2/c1-5-9-17-21(7-3)23(27)25-19-15-13-11-12-14-16-20-26-24(28)22(8-4)18-10-6-2/h21-22H,5-20H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyPGGIIOXWVBFEJQ-UHFFFAOYSA-N
XLogP5.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.66
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-ethyl-N-[8-(2-ethylhexanoylamino)octyl]hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Valrocemide
CID 6918293
Isostearamidopropyl Dimethylamine
CID 105621
N-(13-Methyltetradecyl)acetamide
CID 47346
Dodecanamide, N-butyl-
CID 94896
N-(2-methylpropyl)dodecanamide
CID 345934
Dodecanamide, N-hexyl-
CID 3505480
N-isobutyl-decanamide
CID 3613503
Decanamide, N,N'-1,2-ethanediylbis-
CID 283611
Isononanamide, N-(2-ethylhexyl)-
CID 15334712
N,N'-(iminodiethylene)bis(isononan-1-amide)
CID 44146389
N-(2-Methylpropyl)hexacosanamide
CID 14162529
3-cyclopentyl-N-{3-[(3-cyclopentylpropanoyl)amino]propyl}propanamide
CID 2931892

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[8-(2-ethylhexanoylamino)octyl]hexanamide?
The IUPAC name of 2-ethyl-N-[8-(2-ethylhexanoylamino)octyl]hexanamide (CID 3407037) is 2-ethyl-N-[8-(2-ethylhexanoylamino)octyl]hexanamide.
What is the SMILES notation for 2-ethyl-N-[8-(2-ethylhexanoylamino)octyl]hexanamide?
The canonical SMILES for 2-ethyl-N-[8-(2-ethylhexanoylamino)octyl]hexanamide is CCCCC(CC)C(=O)NCCCCCCCCNC(=O)C(CC)CCCC.
What is the InChIKey of 2-ethyl-N-[8-(2-ethylhexanoylamino)octyl]hexanamide?
The InChIKey is PGGIIOXWVBFEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N2O2/c1-5-9-17-21(7-3)23(27)25-19-15-13-11-12-14-16-20-26-24(28)22(8-4)18-10-6-2/h21-22H,5-20H2,1-4H3,(H,25,27)(H,26,28).
What are the key properties of 2-ethyl-N-[8-(2-ethylhexanoylamino)octyl]hexanamide?
2-ethyl-N-[8-(2-ethylhexanoylamino)octyl]hexanamide has a molecular weight of 396.66 g/mol, XLogP of 5.99, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[8-(2-ethylhexanoylamino)octyl]hexanamide is sourced from PubChem (CID 3407037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).