[2-(4-ethylanilino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate

C25H31NO4 — CID 7198194

IUPAC[2-(4-ethylanilino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate
SMILESCCCCCc1ccc(C(=O)CCC(=O)OCC(=O)Nc2ccc(CC)cc2)cc1
InChIInChI=1S/C25H31NO4/c1-3-5-6-7-20-8-12-21(13-9-20)23(27)16-17-25(29)30-18-24(28)26-22-14-10-19(4-2)11-15-22/h8-15H,3-7,16-18H2,1-2H3,(H,26,28)
InChIKeyLGJRBWWZEKDPRX-UHFFFAOYSA-N
MW409.53 g/mol
LogP5.13
Rot. Bonds12

About [2-(4-ethylanilino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate

[2-(4-ethylanilino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate (PubChem CID 7198194) has the molecular formula C25H31NO4 and a molecular weight of 409.53 g/mol. Its IUPAC name is [2-(4-ethylanilino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate.

Molecular Properties

Compound Name[2-(4-ethylanilino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate
PubChem CID7198194
Molecular FormulaC25H31NO4
Molecular Weight409.53 g/mol
Exact Mass409.23
IUPAC Name[2-(4-ethylanilino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate
SMILESCCCCCc1ccc(C(=O)CCC(=O)OCC(=O)Nc2ccc(CC)cc2)cc1
InChIInChI=1S/C25H31NO4/c1-3-5-6-7-20-8-12-21(13-9-20)23(27)16-17-25(29)30-18-24(28)26-22-14-10-19(4-2)11-15-22/h8-15H,3-7,16-18H2,1-2H3,(H,26,28)
InChIKeyLGJRBWWZEKDPRX-UHFFFAOYSA-N
XLogP5.13
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-(4-ethylanilino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate 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-(carbamoylamino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate
CID 7198067
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 4-oxo-4-(4-propylphenyl)butanoate
CID 7227194
[2-(ethylcarbamoylamino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate
CID 7198076
ethyl 4-oxo-4-(4-pentylphenyl)butanoate
CID 24727550
[2-(3,4-dimethylanilino)-2-oxoethyl] 4-oxo-4-(4-propylphenyl)butanoate
CID 7227164
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate
CID 4298194
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-oxo-4-(4-pentylphenyl)butanoate
CID 42981679
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-oxo-4-(4-propylphenyl)butanoate
CID 7227096
[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate
CID 4969587
N-(4-ethylphenyl)-4-pentylbenzamide
CID 142206594
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate
CID 4833159
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 4-oxo-4-(4-propylphenyl)butanoate
CID 7265430

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylanilino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate?
The IUPAC name of [2-(4-ethylanilino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate (CID 7198194) is [2-(4-ethylanilino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate.
What is the SMILES notation for [2-(4-ethylanilino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate?
The canonical SMILES for [2-(4-ethylanilino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate is CCCCCc1ccc(C(=O)CCC(=O)OCC(=O)Nc2ccc(CC)cc2)cc1.
What is the InChIKey of [2-(4-ethylanilino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate?
The InChIKey is LGJRBWWZEKDPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO4/c1-3-5-6-7-20-8-12-21(13-9-20)23(27)16-17-25(29)30-18-24(28)26-22-14-10-19(4-2)11-15-22/h8-15H,3-7,16-18H2,1-2H3,(H,26,28).
What are the key properties of [2-(4-ethylanilino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate?
[2-(4-ethylanilino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate has a molecular weight of 409.53 g/mol, XLogP of 5.13, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylanilino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate is sourced from PubChem (CID 7198194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).