butyl 4-[2-(2,6-diethylanilino)-2-oxoethoxy]benzoate

C23H29NO4 — CID 7984493

IUPACbutyl 4-[2-(2,6-diethylanilino)-2-oxoethoxy]benzoate
SMILESCCCCOC(=O)c1ccc(OCC(=O)Nc2c(CC)cccc2CC)cc1
InChIInChI=1S/C23H29NO4/c1-4-7-15-27-23(26)19-11-13-20(14-12-19)28-16-21(25)24-22-17(5-2)9-8-10-18(22)6-3/h8-14H,4-7,15-16H2,1-3H3,(H,24,25)
InChIKeyQVKTYNYUONXPDJ-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.79
Rot. Bonds10

About butyl 4-[2-(2,6-diethylanilino)-2-oxoethoxy]benzoate

butyl 4-[2-(2,6-diethylanilino)-2-oxoethoxy]benzoate (PubChem CID 7984493) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is butyl 4-[2-(2,6-diethylanilino)-2-oxoethoxy]benzoate.

Molecular Properties

Compound Namebutyl 4-[2-(2,6-diethylanilino)-2-oxoethoxy]benzoate
PubChem CID7984493
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Namebutyl 4-[2-(2,6-diethylanilino)-2-oxoethoxy]benzoate
SMILESCCCCOC(=O)c1ccc(OCC(=O)Nc2c(CC)cccc2CC)cc1
InChIInChI=1S/C23H29NO4/c1-4-7-15-27-23(26)19-11-13-20(14-12-19)28-16-21(25)24-22-17(5-2)9-8-10-18(22)6-3/h8-14H,4-7,15-16H2,1-3H3,(H,24,25)
InChIKeyQVKTYNYUONXPDJ-UHFFFAOYSA-N
XLogP4.79
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze butyl 4-[2-(2,6-diethylanilino)-2-oxoethoxy]benzoate 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

butyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate
CID 19175455
butyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 3537065
2-(4-acetamidophenoxy)-N-(2,6-diethylphenyl)acetamide
CID 2606243
[2-(2,6-diethylanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 7796481
butyl 4-[2-[4-(dimethylamino)anilino]-2-oxoethoxy]benzoate
CID 7762125
butyl 4-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]benzoate
CID 7984519
propyl 4-[[2-(4-ethylphenoxy)acetyl]amino]benzoate
CID 2274683
N-(2,6-diethylphenyl)-2-(4-formylphenoxy)acetamide
CID 23409164
propyl 4-butoxybenzoate
CID 43389566
butyl 4-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethoxy]benzoate
CID 8511733
butyl 4-[2-(3,4-dimethoxyanilino)-2-oxoethoxy]benzoate
CID 7984511
butyl N-(2,6-diethylphenyl)carbamate
CID 19174090

Frequently Asked Questions

What is the IUPAC name of butyl 4-[2-(2,6-diethylanilino)-2-oxoethoxy]benzoate?
The IUPAC name of butyl 4-[2-(2,6-diethylanilino)-2-oxoethoxy]benzoate (CID 7984493) is butyl 4-[2-(2,6-diethylanilino)-2-oxoethoxy]benzoate.
What is the SMILES notation for butyl 4-[2-(2,6-diethylanilino)-2-oxoethoxy]benzoate?
The canonical SMILES for butyl 4-[2-(2,6-diethylanilino)-2-oxoethoxy]benzoate is CCCCOC(=O)c1ccc(OCC(=O)Nc2c(CC)cccc2CC)cc1.
What is the InChIKey of butyl 4-[2-(2,6-diethylanilino)-2-oxoethoxy]benzoate?
The InChIKey is QVKTYNYUONXPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-4-7-15-27-23(26)19-11-13-20(14-12-19)28-16-21(25)24-22-17(5-2)9-8-10-18(22)6-3/h8-14H,4-7,15-16H2,1-3H3,(H,24,25).
What are the key properties of butyl 4-[2-(2,6-diethylanilino)-2-oxoethoxy]benzoate?
butyl 4-[2-(2,6-diethylanilino)-2-oxoethoxy]benzoate has a molecular weight of 383.49 g/mol, XLogP of 4.79, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[2-(2,6-diethylanilino)-2-oxoethoxy]benzoate is sourced from PubChem (CID 7984493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).