2-ethyl-N-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)ethyl]octanamide

C20H33NO — CID 123631703

IUPAC2-ethyl-N-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)ethyl]octanamide
SMILESCCCCCCC(CC)C(=O)NCCC1=CC=C(C)CC=C1
InChIInChI=1S/C20H33NO/c1-4-6-7-8-12-19(5-2)20(22)21-16-15-18-11-9-10-17(3)13-14-18/h9,11,13-14,19H,4-8,10,12,15-16H2,1-3H3,(H,21,22)
InChIKeyJKOOYOHOBPGSQK-UHFFFAOYSA-N
MW303.49 g/mol
LogP5.32
Rot. Bonds10

About 2-ethyl-N-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)ethyl]octanamide

2-ethyl-N-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)ethyl]octanamide (PubChem CID 123631703) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is 2-ethyl-N-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)ethyl]octanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)ethyl]octanamide
PubChem CID123631703
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC Name2-ethyl-N-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)ethyl]octanamide
SMILESCCCCCCC(CC)C(=O)NCCC1=CC=C(C)CC=C1
InChIInChI=1S/C20H33NO/c1-4-6-7-8-12-19(5-2)20(22)21-16-15-18-11-9-10-17(3)13-14-18/h9,11,13-14,19H,4-8,10,12,15-16H2,1-3H3,(H,21,22)
InChIKeyJKOOYOHOBPGSQK-UHFFFAOYSA-N
XLogP5.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.49
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethyl-N-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)ethyl]octanamide 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

N-propyl-16,16-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine
CID 5283428
N-propyl alpha-methyl arachidonoyl amine
CID 5283416
(+/-)N-(2-fluro-ethyl)-2,16-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine
CID 5283440
(+/-)-2,17,17,-Trimethyl-5,8,11,14-all-cis-docosatetraenoyl-2'-fluoroethylamine
CID 5283441
(+/-)-2,17,-Dimethyl-5,8,11,14-all-cis-docosatetraenoyl-2'-fluoroethylamine
CID 5283442
(+/-)-2-Methyl-5,8,11,14-all-cis-tricosatetraenoyl-2'-fluoroethylamine
CID 5283443
Oleoyl ethylamide
CID 44270319
(9Z,12Z)-N-(1-cyclohexylethyl)octadeca-9,12-dienamide
CID 162644302
(Z)-N-propyloctadec-9-enamide
CID 44270331
N-Butyloleamide
CID 6436496
(Z)-N-(2-methylpropyl)octadec-9-enamide
CID 73897824
(Z)-N-pentyloctadec-9-enamide
CID 139961885

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)ethyl]octanamide?
The IUPAC name of 2-ethyl-N-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)ethyl]octanamide (CID 123631703) is 2-ethyl-N-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)ethyl]octanamide.
What is the SMILES notation for 2-ethyl-N-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)ethyl]octanamide?
The canonical SMILES for 2-ethyl-N-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)ethyl]octanamide is CCCCCCC(CC)C(=O)NCCC1=CC=C(C)CC=C1.
What is the InChIKey of 2-ethyl-N-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)ethyl]octanamide?
The InChIKey is JKOOYOHOBPGSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO/c1-4-6-7-8-12-19(5-2)20(22)21-16-15-18-11-9-10-17(3)13-14-18/h9,11,13-14,19H,4-8,10,12,15-16H2,1-3H3,(H,21,22).
What are the key properties of 2-ethyl-N-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)ethyl]octanamide?
2-ethyl-N-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)ethyl]octanamide has a molecular weight of 303.49 g/mol, XLogP of 5.32, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)ethyl]octanamide is sourced from PubChem (CID 123631703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).