[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate

C25H30N2O4 — CID 25161485

IUPAC[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C25H30N2O4/c1-25(2,3)27(16-20-12-8-5-9-13-20)23(29)18-31-24(30)21-14-22(28)26(17-21)15-19-10-6-4-7-11-19/h4-13,21H,14-18H2,1-3H3
InChIKeySTYDZHILBJJFQC-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.41
Rot. Bonds7

About [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate

[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate (PubChem CID 25161485) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate
PubChem CID25161485
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC Name[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C25H30N2O4/c1-25(2,3)27(16-20-12-8-5-9-13-20)23(29)18-31-24(30)21-14-22(28)26(17-21)15-19-10-6-4-7-11-19/h4-13,21H,14-18H2,1-3H3
InChIKeySTYDZHILBJJFQC-UHFFFAOYSA-N
XLogP3.41
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate (CID 25161485) is [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate is CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)C1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate?
The InChIKey is STYDZHILBJJFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-25(2,3)27(16-20-12-8-5-9-13-20)23(29)18-31-24(30)21-14-22(28)26(17-21)15-19-10-6-4-7-11-19/h4-13,21H,14-18H2,1-3H3.
What are the key properties of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate?
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate has a molecular weight of 422.53 g/mol, XLogP of 3.41, 7 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] 1-benzyl-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 25161485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).