[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate

C24H29NO5 — CID 7524637

IUPAC[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
SMILESCCOc1ccccc1CCC(=O)OCC(=O)NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H29NO5/c1-5-29-20-9-7-6-8-17(20)12-15-22(27)30-16-21(26)25-23(28)18-10-13-19(14-11-18)24(2,3)4/h6-11,13-14H,5,12,15-16H2,1-4H3,(H,25,26,28)
InChIKeyYQTUKDQXLREHQT-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.82
Rot. Bonds8

About [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate

[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate (PubChem CID 7524637) has the molecular formula C24H29NO5 and a molecular weight of 411.50 g/mol. Its IUPAC name is [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate.

Molecular Properties

Compound Name[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
PubChem CID7524637
Molecular FormulaC24H29NO5
Molecular Weight411.50 g/mol
Exact Mass411.20
IUPAC Name[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
SMILESCCOc1ccccc1CCC(=O)OCC(=O)NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H29NO5/c1-5-29-20-9-7-6-8-17(20)12-15-22(27)30-16-21(26)25-23(28)18-10-13-19(14-11-18)24(2,3)4/h6-11,13-14H,5,12,15-16H2,1-4H3,(H,25,26,28)
InChIKeyYQTUKDQXLREHQT-UHFFFAOYSA-N
XLogP3.82
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate 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-amino-2-oxoethyl) 3-(2-ethoxyphenyl)propanoate
CID 7523952
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 8648600
(2-benzamido-2-oxoethyl) 4-(2-ethoxyphenoxy)butanoate
CID 7147638
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] propanoate
CID 7851351
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7524467
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 3-(2-ethoxyphenyl)propanoate
CID 8648612
[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7524036
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7578048
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(2-ethoxyphenyl)propanoate
CID 7524265
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3,3-dimethylbutanoate
CID 7950882
[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 8731450
[2-(3-methylanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7523992

Frequently Asked Questions

What is the IUPAC name of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate?
The IUPAC name of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate (CID 7524637) is [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate.
What is the SMILES notation for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate?
The canonical SMILES for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate is CCOc1ccccc1CCC(=O)OCC(=O)NC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate?
The InChIKey is YQTUKDQXLREHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO5/c1-5-29-20-9-7-6-8-17(20)12-15-22(27)30-16-21(26)25-23(28)18-10-13-19(14-11-18)24(2,3)4/h6-11,13-14H,5,12,15-16H2,1-4H3,(H,25,26,28).
What are the key properties of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate?
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate has a molecular weight of 411.50 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate is sourced from PubChem (CID 7524637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).