[2-(2,5-diethylphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate

C25H31NO4 — CID 7854419

IUPAC[2-(2,5-diethylphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
SMILESCCc1ccc(CC)c(C(=O)COC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C25H31NO4/c1-6-17-8-9-18(7-2)21(14-17)22(27)16-30-23(28)15-26-24(29)19-10-12-20(13-11-19)25(3,4)5/h8-14H,6-7,15-16H2,1-5H3,(H,26,29)
InChIKeySTFNQLOXOGEGIO-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.26
Rot. Bonds8

About [2-(2,5-diethylphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate

[2-(2,5-diethylphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate (PubChem CID 7854419) has the molecular formula C25H31NO4 and a molecular weight of 409.53 g/mol. Its IUPAC name is [2-(2,5-diethylphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(2,5-diethylphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
PubChem CID7854419
Molecular FormulaC25H31NO4
Molecular Weight409.53 g/mol
Exact Mass409.23
IUPAC Name[2-(2,5-diethylphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
SMILESCCc1ccc(CC)c(C(=O)COC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C25H31NO4/c1-6-17-8-9-18(7-2)21(14-17)22(27)16-30-23(28)15-26-24(29)19-10-12-20(13-11-19)25(3,4)5/h8-14H,6-7,15-16H2,1-5H3,(H,26,29)
InChIKeySTFNQLOXOGEGIO-UHFFFAOYSA-N
XLogP4.26
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2,5-diethylphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate 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-(2,5-diethylphenyl)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 55311586
4-tert-butyl-N-[(2,5-diethylphenyl)methyl]benzamide
CID 100668816
[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854515
[2-oxo-2-(4-propylphenyl)ethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880376
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854460
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 7883000
[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854430
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 9492401
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854462
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 18289243
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7544118
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate
CID 42007014

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-diethylphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate?
The IUPAC name of [2-(2,5-diethylphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate (CID 7854419) is [2-(2,5-diethylphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate.
What is the SMILES notation for [2-(2,5-diethylphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate?
The canonical SMILES for [2-(2,5-diethylphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate is CCc1ccc(CC)c(C(=O)COC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of [2-(2,5-diethylphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate?
The InChIKey is STFNQLOXOGEGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO4/c1-6-17-8-9-18(7-2)21(14-17)22(27)16-30-23(28)15-26-24(29)19-10-12-20(13-11-19)25(3,4)5/h8-14H,6-7,15-16H2,1-5H3,(H,26,29).
What are the key properties of [2-(2,5-diethylphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate?
[2-(2,5-diethylphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate has a molecular weight of 409.53 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-diethylphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate is sourced from PubChem (CID 7854419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).