N-(2,6-diethylphenyl)-4-(4-ethylphenoxy)butanamide

C22H29NO2 — CID 19174107

IUPACN-(2,6-diethylphenyl)-4-(4-ethylphenoxy)butanamide
SMILESCCc1ccc(OCCCC(=O)Nc2c(CC)cccc2CC)cc1
InChIInChI=1S/C22H29NO2/c1-4-17-12-14-20(15-13-17)25-16-8-11-21(24)23-22-18(5-2)9-7-10-19(22)6-3/h7,9-10,12-15H,4-6,8,11,16H2,1-3H3,(H,23,24)
InChIKeyHCBRKDKZXHJFMO-UHFFFAOYSA-N
MW339.48 g/mol
LogP5.17
Rot. Bonds9

About N-(2,6-diethylphenyl)-4-(4-ethylphenoxy)butanamide

N-(2,6-diethylphenyl)-4-(4-ethylphenoxy)butanamide (PubChem CID 19174107) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-4-(4-ethylphenoxy)butanamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-4-(4-ethylphenoxy)butanamide
PubChem CID19174107
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC NameN-(2,6-diethylphenyl)-4-(4-ethylphenoxy)butanamide
SMILESCCc1ccc(OCCCC(=O)Nc2c(CC)cccc2CC)cc1
InChIInChI=1S/C22H29NO2/c1-4-17-12-14-20(15-13-17)25-16-8-11-21(24)23-22-18(5-2)9-7-10-19(22)6-3/h7,9-10,12-15H,4-6,8,11,16H2,1-3H3,(H,23,24)
InChIKeyHCBRKDKZXHJFMO-UHFFFAOYSA-N
XLogP5.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2,6-diethylphenyl)-4-(4-ethylphenoxy)butanamide 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

4-(4-ethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 19173503
N-(2-ethyl-6-methylphenyl)-4-(4-methoxyphenoxy)butanamide
CID 7783546
N-(2,6-dimethylphenyl)-3-(4-ethylphenoxy)propanamide
CID 108795911
N-(3-bromophenyl)-4-(4-ethylphenoxy)butanamide
CID 19173838
N-(2-bromo-4-ethylphenyl)-4-(4-ethylphenoxy)butanamide
CID 53268051
N-(2,6-diethylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 7643132
N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-4-(4-ethylphenoxy)butanamide
CID 108768513
(4-butoxyphenyl) N-(2,6-diethylphenyl)carbamate
CID 3423287
N-(2-ethyl-6-methylphenyl)-4-(2-methylphenoxy)butanamide
CID 19173293
1-(2-ethyl-6-methylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972102
butyl 4-[4-(4-ethylphenoxy)butanoylamino]benzoate
CID 19173521
butyl 4-[2-(2,6-diethylanilino)-2-oxoethoxy]benzoate
CID 7984493

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-4-(4-ethylphenoxy)butanamide?
The IUPAC name of N-(2,6-diethylphenyl)-4-(4-ethylphenoxy)butanamide (CID 19174107) is N-(2,6-diethylphenyl)-4-(4-ethylphenoxy)butanamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-4-(4-ethylphenoxy)butanamide?
The canonical SMILES for N-(2,6-diethylphenyl)-4-(4-ethylphenoxy)butanamide is CCc1ccc(OCCCC(=O)Nc2c(CC)cccc2CC)cc1.
What is the InChIKey of N-(2,6-diethylphenyl)-4-(4-ethylphenoxy)butanamide?
The InChIKey is HCBRKDKZXHJFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-4-17-12-14-20(15-13-17)25-16-8-11-21(24)23-22-18(5-2)9-7-10-19(22)6-3/h7,9-10,12-15H,4-6,8,11,16H2,1-3H3,(H,23,24).
What are the key properties of N-(2,6-diethylphenyl)-4-(4-ethylphenoxy)butanamide?
N-(2,6-diethylphenyl)-4-(4-ethylphenoxy)butanamide has a molecular weight of 339.48 g/mol, XLogP of 5.17, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-4-(4-ethylphenoxy)butanamide is sourced from PubChem (CID 19174107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).