[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate

C24H28N2O4 — CID 4784392

IUPAC[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C24H28N2O4/c1-24(2,3)26(16-18-8-5-4-6-9-18)22(28)17-30-23(29)19-11-13-20(14-12-19)25-15-7-10-21(25)27/h4-6,8-9,11-14H,7,10,15-17H2,1-3H3
InChIKeyURLHGJCMRFSQSA-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.80
Rot. Bonds6

About [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate

[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate (PubChem CID 4784392) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
PubChem CID4784392
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C24H28N2O4/c1-24(2,3)26(16-18-8-5-4-6-9-18)22(28)17-30-23(29)19-11-13-20(14-12-19)25-15-7-10-21(25)27/h4-6,8-9,11-14H,7,10,15-17H2,1-3H3
InChIKeyURLHGJCMRFSQSA-UHFFFAOYSA-N
XLogP3.80
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
The IUPAC name of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate (CID 4784392) is [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
The canonical SMILES for [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate is CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
The InChIKey is URLHGJCMRFSQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-24(2,3)26(16-18-8-5-4-6-9-18)22(28)17-30-23(29)19-11-13-20(14-12-19)25-15-7-10-21(25)27/h4-6,8-9,11-14H,7,10,15-17H2,1-3H3.
What are the key properties of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate has a molecular weight of 408.50 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 4784392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).