2-ethyl-N-[6-(2-ethylbutanoylamino)hexyl]-2-methylbutanamide

C19H38N2O2 — CID 123226259

IUPAC2-ethyl-N-[6-(2-ethylbutanoylamino)hexyl]-2-methylbutanamide
SMILESCCC(CC)C(=O)NCCCCCCNC(=O)C(C)(CC)CC
InChIInChI=1S/C19H38N2O2/c1-6-16(7-2)17(22)20-14-12-10-11-13-15-21-18(23)19(5,8-3)9-4/h16H,6-15H2,1-5H3,(H,20,22)(H,21,23)
InChIKeyZGGAOGMCLBYRDX-UHFFFAOYSA-N
MW326.53 g/mol
LogP4.04
Rot. Bonds13

About 2-ethyl-N-[6-(2-ethylbutanoylamino)hexyl]-2-methylbutanamide

2-ethyl-N-[6-(2-ethylbutanoylamino)hexyl]-2-methylbutanamide (PubChem CID 123226259) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is 2-ethyl-N-[6-(2-ethylbutanoylamino)hexyl]-2-methylbutanamide.

Molecular Properties

Compound Name2-ethyl-N-[6-(2-ethylbutanoylamino)hexyl]-2-methylbutanamide
PubChem CID123226259
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC Name2-ethyl-N-[6-(2-ethylbutanoylamino)hexyl]-2-methylbutanamide
SMILESCCC(CC)C(=O)NCCCCCCNC(=O)C(C)(CC)CC
InChIInChI=1S/C19H38N2O2/c1-6-16(7-2)17(22)20-14-12-10-11-13-15-21-18(23)19(5,8-3)9-4/h16H,6-15H2,1-5H3,(H,20,22)(H,21,23)
InChIKeyZGGAOGMCLBYRDX-UHFFFAOYSA-N
XLogP4.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 54.04
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-[6-(2-ethylbutanoylamino)hexyl]-2-methylbutanamide 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

Valeramide, N-(3-(dibutylamino)propyl)-2-propyl-
CID 211199
Pentanamide, 2-propyl-N-(2-propylpentyl)-
CID 218532
N-(2-ethylhexyl)-3,5,5-trimethylhexanamide
CID 154734376
N-[6-(3,3-dimethylbutanoylamino)hexyl]-3,3-dimethylbutanamide
CID 4454112
Butanamide, N-hexyl-3-methyl
CID 528606
3-methyl-N-{[1-(3-methylbutanoyl)(4-piperidyl)]methyl}butanamide
CID 17385446
N-Dodecyl-2-propylvaleramide
CID 3032189
N-Ethyl-2-isopropyl-2,4-dimethylvaleramide
CID 101044
2-sec-Butyl-N-ethyl-2,3-dimethylvaleramide
CID 101045
N,2,2-Triethylbutyramide
CID 101046
N-Ethyl-2-isobutyl-2,4-dimethylvaleramide
CID 3016606
2-ethyl-N-(2-ethylhexyl)hexanamide
CID 4549756

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[6-(2-ethylbutanoylamino)hexyl]-2-methylbutanamide?
The IUPAC name of 2-ethyl-N-[6-(2-ethylbutanoylamino)hexyl]-2-methylbutanamide (CID 123226259) is 2-ethyl-N-[6-(2-ethylbutanoylamino)hexyl]-2-methylbutanamide.
What is the SMILES notation for 2-ethyl-N-[6-(2-ethylbutanoylamino)hexyl]-2-methylbutanamide?
The canonical SMILES for 2-ethyl-N-[6-(2-ethylbutanoylamino)hexyl]-2-methylbutanamide is CCC(CC)C(=O)NCCCCCCNC(=O)C(C)(CC)CC.
What is the InChIKey of 2-ethyl-N-[6-(2-ethylbutanoylamino)hexyl]-2-methylbutanamide?
The InChIKey is ZGGAOGMCLBYRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-6-16(7-2)17(22)20-14-12-10-11-13-15-21-18(23)19(5,8-3)9-4/h16H,6-15H2,1-5H3,(H,20,22)(H,21,23).
What are the key properties of 2-ethyl-N-[6-(2-ethylbutanoylamino)hexyl]-2-methylbutanamide?
2-ethyl-N-[6-(2-ethylbutanoylamino)hexyl]-2-methylbutanamide has a molecular weight of 326.53 g/mol, XLogP of 4.04, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[6-(2-ethylbutanoylamino)hexyl]-2-methylbutanamide is sourced from PubChem (CID 123226259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).