[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate

C25H28N2O6 — CID 41134690

IUPAC[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOc1ccccc1N1C[C@@H](C(=O)OCC(=O)NC(=O)c2ccc(C(C)(C)C)cc2)CC1=O
InChIInChI=1S/C25H28N2O6/c1-25(2,3)18-11-9-16(10-12-18)23(30)26-21(28)15-33-24(31)17-13-22(29)27(14-17)19-7-5-6-8-20(19)32-4/h5-12,17H,13-15H2,1-4H3,(H,26,28,30)/t17-/m0/s1
InChIKeyUSTPMIBAFGUAOL-KRWDZBQOSA-N
MW452.51 g/mol
LogP2.85
Rot. Bonds6

About [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate

[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 41134690) has the molecular formula C25H28N2O6 and a molecular weight of 452.51 g/mol. Its IUPAC name is [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID41134690
Molecular FormulaC25H28N2O6
Molecular Weight452.51 g/mol
Exact Mass452.19
IUPAC Name[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOc1ccccc1N1C[C@@H](C(=O)OCC(=O)NC(=O)c2ccc(C(C)(C)C)cc2)CC1=O
InChIInChI=1S/C25H28N2O6/c1-25(2,3)18-11-9-16(10-12-18)23(30)26-21(28)15-33-24(31)17-13-22(29)27(14-17)19-7-5-6-8-20(19)32-4/h5-12,17H,13-15H2,1-4H3,(H,26,28,30)/t17-/m0/s1
InChIKeyUSTPMIBAFGUAOL-KRWDZBQOSA-N
XLogP2.85
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate 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-(cyclopropylcarbamoylamino)-2-oxoethyl] (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7543266
[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 8945934
[2-(4-acetylanilino)-2-oxoethyl] (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7546840
ethyl (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075916
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7546627
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 3164252
[2-(1-adamantylamino)-2-oxoethyl] (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7545896
[2-(2-ethoxyanilino)-2-oxoethyl] (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7546244
[2-(naphthalen-1-ylamino)-2-oxoethyl] (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7263881
[2-(2-methoxyanilino)-2-oxoethyl] (3S)-1-[(4-tert-butylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 41110890
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7544674
benzyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7545638

Frequently Asked Questions

What is the IUPAC name of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate (CID 41134690) is [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate is COc1ccccc1N1C[C@@H](C(=O)OCC(=O)NC(=O)c2ccc(C(C)(C)C)cc2)CC1=O.
What is the InChIKey of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is USTPMIBAFGUAOL-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H28N2O6/c1-25(2,3)18-11-9-16(10-12-18)23(30)26-21(28)15-33-24(31)17-13-22(29)27(14-17)19-7-5-6-8-20(19)32-4/h5-12,17H,13-15H2,1-4H3,(H,26,28,30)/t17-/m0/s1.
What are the key properties of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 452.51 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 41134690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).