N-(2,6-diethylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide

C22H27NO3 — CID 7643132

IUPACN-(2,6-diethylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
SMILESCCc1cccc(CC)c1NC(=O)COc1ccc(CCC(C)=O)cc1
InChIInChI=1S/C22H27NO3/c1-4-18-7-6-8-19(5-2)22(18)23-21(25)15-26-20-13-11-17(12-14-20)10-9-16(3)24/h6-8,11-14H,4-5,9-10,15H2,1-3H3,(H,23,25)
InChIKeySLPLLEOUCIIEEK-UHFFFAOYSA-N
MW353.46 g/mol
LogP4.35
Rot. Bonds9

About N-(2,6-diethylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide

N-(2,6-diethylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide (PubChem CID 7643132) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
PubChem CID7643132
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC NameN-(2,6-diethylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
SMILESCCc1cccc(CC)c1NC(=O)COc1ccc(CCC(C)=O)cc1
InChIInChI=1S/C22H27NO3/c1-4-18-7-6-8-19(5-2)22(18)23-21(25)15-26-20-13-11-17(12-14-20)10-9-16(3)24/h6-8,11-14H,4-5,9-10,15H2,1-3H3,(H,23,25)
InChIKeySLPLLEOUCIIEEK-UHFFFAOYSA-N
XLogP4.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,6-diethylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide 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

2-(4-acetamidophenoxy)-N-(2,6-diethylphenyl)acetamide
CID 2606243
N-ethyl-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 24701129
N-(2,6-diethylphenyl)-2-(4-formylphenoxy)acetamide
CID 23409164
N-(2-chlorophenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 7643095
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,6-diethylphenyl)acetamide
CID 7643309
N-(2,6-diethylphenyl)-4-(4-ethylphenoxy)butanamide
CID 19174107
N-(2,6-diethylphenyl)-4-oxopentanamide
CID 65419318
N-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 138013633
2-(3-acetamidophenoxy)-N-(2,6-diethylphenyl)acetamide
CID 7697860
N-(2,6-diethylphenyl)-3-(4-methylphenyl)propanamide
CID 19220419
2-(3,5-dichlorophenoxy)-N-(2,6-diethylphenyl)acetamide
CID 7467237
N-(2-ethyl-6-methylphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 19172373

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide (CID 7643132) is N-(2,6-diethylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide is CCc1cccc(CC)c1NC(=O)COc1ccc(CCC(C)=O)cc1.
What is the InChIKey of N-(2,6-diethylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide?
The InChIKey is SLPLLEOUCIIEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-4-18-7-6-8-19(5-2)22(18)23-21(25)15-26-20-13-11-17(12-14-20)10-9-16(3)24/h6-8,11-14H,4-5,9-10,15H2,1-3H3,(H,23,25).
What are the key properties of N-(2,6-diethylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide?
N-(2,6-diethylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide has a molecular weight of 353.46 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide is sourced from PubChem (CID 7643132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).