[2-[benzyl(ethyl)amino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate

C22H22N2O3 — CID 18197217

IUPAC[2-[benzyl(ethyl)amino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate
SMILESCCN(Cc1ccccc1)C(=O)COC(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C22H22N2O3/c1-2-23(16-18-8-4-3-5-9-18)21(25)17-27-22(26)19-10-12-20(13-11-19)24-14-6-7-15-24/h3-15H,2,16-17H2,1H3
InChIKeyNXWIVCWGOFOOBT-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.68
Rot. Bonds7

About [2-[benzyl(ethyl)amino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate

[2-[benzyl(ethyl)amino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate (PubChem CID 18197217) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is [2-[benzyl(ethyl)amino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate.

Molecular Properties

Compound Name[2-[benzyl(ethyl)amino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate
PubChem CID18197217
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name[2-[benzyl(ethyl)amino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate
SMILESCCN(Cc1ccccc1)C(=O)COC(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C22H22N2O3/c1-2-23(16-18-8-4-3-5-9-18)21(25)17-27-22(26)19-10-12-20(13-11-19)24-14-6-7-15-24/h3-15H,2,16-17H2,1H3
InChIKeyNXWIVCWGOFOOBT-UHFFFAOYSA-N
XLogP3.68
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-[benzyl(ethyl)amino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate 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-(dibenzylamino)-2-oxoethyl] 4-(2-oxo-2-phenylacetyl)benzoate
CID 2531997
ethyl 4-pyrrol-1-ylbenzoate
CID 2736468
[2-[benzyl(ethyl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 18073894
[2-(dibenzylamino)-2-oxoethyl] 4-tert-butylbenzoate
CID 7891947
[2-[benzyl(ethyl)amino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate
CID 18085391
[2-[benzyl(ethyl)amino]-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204757
N,N-diethyl-4-pyrrol-1-ylbenzamide
CID 60682055
[2-[benzyl(ethyl)amino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 55326340
[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate
CID 40690849
[2-(diethylamino)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 55307289
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-hydroxybenzoate
CID 7477900
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-methoxybenzoate
CID 7872740

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(ethyl)amino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate?
The IUPAC name of [2-[benzyl(ethyl)amino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate (CID 18197217) is [2-[benzyl(ethyl)amino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate.
What is the SMILES notation for [2-[benzyl(ethyl)amino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate?
The canonical SMILES for [2-[benzyl(ethyl)amino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate is CCN(Cc1ccccc1)C(=O)COC(=O)c1ccc(-n2cccc2)cc1.
What is the InChIKey of [2-[benzyl(ethyl)amino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate?
The InChIKey is NXWIVCWGOFOOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-2-23(16-18-8-4-3-5-9-18)21(25)17-27-22(26)19-10-12-20(13-11-19)24-14-6-7-15-24/h3-15H,2,16-17H2,1H3.
What are the key properties of [2-[benzyl(ethyl)amino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate?
[2-[benzyl(ethyl)amino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate has a molecular weight of 362.43 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(ethyl)amino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate is sourced from PubChem (CID 18197217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).