[2-oxo-2-(2-phenylethylamino)ethyl] 1-methylpyrrole-2-carboxylate

C16H18N2O3 — CID 2629246

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 1-methylpyrrole-2-carboxylate
SMILESCn1cccc1C(=O)OCC(=O)NCCc1ccccc1
InChIInChI=1S/C16H18N2O3/c1-18-11-5-8-14(18)16(20)21-12-15(19)17-10-9-13-6-3-2-4-7-13/h2-8,11H,9-10,12H2,1H3,(H,17,19)
InChIKeyRLSFCTUMJORJKZ-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.54
Rot. Bonds6

About [2-oxo-2-(2-phenylethylamino)ethyl] 1-methylpyrrole-2-carboxylate

[2-oxo-2-(2-phenylethylamino)ethyl] 1-methylpyrrole-2-carboxylate (PubChem CID 2629246) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 1-methylpyrrole-2-carboxylate
PubChem CID2629246
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 1-methylpyrrole-2-carboxylate
SMILESCn1cccc1C(=O)OCC(=O)NCCc1ccccc1
InChIInChI=1S/C16H18N2O3/c1-18-11-5-8-14(18)16(20)21-12-15(19)17-10-9-13-6-3-2-4-7-13/h2-8,11H,9-10,12H2,1H3,(H,17,19)
InChIKeyRLSFCTUMJORJKZ-UHFFFAOYSA-N
XLogP1.54
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-(2-phenylethylamino)ethyl] 1-methylpyrrole-2-carboxylate 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-oxo-2-(2-phenylethylamino)ethyl] 1-methylpyrrole-2-carboxylate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 1-methylpyrrole-2-carboxylate (CID 2629246) is [2-oxo-2-(2-phenylethylamino)ethyl] 1-methylpyrrole-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 1-methylpyrrole-2-carboxylate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 1-methylpyrrole-2-carboxylate is Cn1cccc1C(=O)OCC(=O)NCCc1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 1-methylpyrrole-2-carboxylate?
The InChIKey is RLSFCTUMJORJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-18-11-5-8-14(18)16(20)21-12-15(19)17-10-9-13-6-3-2-4-7-13/h2-8,11H,9-10,12H2,1H3,(H,17,19).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 1-methylpyrrole-2-carboxylate?
[2-oxo-2-(2-phenylethylamino)ethyl] 1-methylpyrrole-2-carboxylate has a molecular weight of 286.33 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] 1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 2629246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).