[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate

C25H28N2O4 — CID 34804870

IUPAC[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate
SMILESO=C(COC(=O)c1cccc(CN2CCCC2=O)c1)NCC1(c2ccccc2)CCC1
InChIInChI=1S/C25H28N2O4/c28-22(26-18-25(12-6-13-25)21-9-2-1-3-10-21)17-31-24(30)20-8-4-7-19(15-20)16-27-14-5-11-23(27)29/h1-4,7-10,15H,5-6,11-14,16-18H2,(H,26,28)
InChIKeyXZYROHBWAAPPNU-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.20
Rot. Bonds8

About [2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate

[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate (PubChem CID 34804870) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is [2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate.

Molecular Properties

Compound Name[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate
PubChem CID34804870
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Name[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate
SMILESO=C(COC(=O)c1cccc(CN2CCCC2=O)c1)NCC1(c2ccccc2)CCC1
InChIInChI=1S/C25H28N2O4/c28-22(26-18-25(12-6-13-25)21-9-2-1-3-10-21)17-31-24(30)20-8-4-7-19(15-20)16-27-14-5-11-23(27)29/h1-4,7-10,15H,5-6,11-14,16-18H2,(H,26,28)
InChIKeyXZYROHBWAAPPNU-UHFFFAOYSA-N
XLogP3.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate 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-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 55426953
N-(2-benzamidoethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 38231106
[2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 7644623
[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 4-methylsulfinylbenzoate
CID 55525643
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 55475125
[2-oxo-2-(propylamino)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 7888225
(4-aminoquinazolin-2-yl)methyl 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 27927046
[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 2-hydroxy-3-methylbenzoate
CID 30896186
3-[(2-oxopyrrolidin-1-yl)methyl]-N-(2-phenylsulfanylethyl)benzamide
CID 9483183
2-[4-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperazin-1-yl]-N-phenylacetamide
CID 39155559
1-(3-fluorophenyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclobutane-1-carboxamide
CID 30875236
N-cyclopentyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9209303

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
The IUPAC name of [2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate (CID 34804870) is [2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate.
What is the SMILES notation for [2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
The canonical SMILES for [2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate is O=C(COC(=O)c1cccc(CN2CCCC2=O)c1)NCC1(c2ccccc2)CCC1.
What is the InChIKey of [2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
The InChIKey is XZYROHBWAAPPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c28-22(26-18-25(12-6-13-25)21-9-2-1-3-10-21)17-31-24(30)20-8-4-7-19(15-20)16-27-14-5-11-23(27)29/h1-4,7-10,15H,5-6,11-14,16-18H2,(H,26,28).
What are the key properties of [2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate has a molecular weight of 420.51 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate is sourced from PubChem (CID 34804870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).