[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-acetyl-1H-pyrrole-2-carboxylate

C20H24N2O4 — CID 9386296

IUPAC[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-acetyl-1H-pyrrole-2-carboxylate
SMILESCC(=O)c1c[nH]c(C(=O)OCC(=O)NCCc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C20H24N2O4/c1-13(2)16-6-4-15(5-7-16)8-9-21-19(24)12-26-20(25)18-10-17(11-22-18)14(3)23/h4-7,10-11,13,22H,8-9,12H2,1-3H3,(H,21,24)
InChIKeyFHCAEZXHONNWKC-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.86
Rot. Bonds8

About [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-acetyl-1H-pyrrole-2-carboxylate

[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-acetyl-1H-pyrrole-2-carboxylate (PubChem CID 9386296) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-acetyl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-acetyl-1H-pyrrole-2-carboxylate
PubChem CID9386296
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-acetyl-1H-pyrrole-2-carboxylate
SMILESCC(=O)c1c[nH]c(C(=O)OCC(=O)NCCc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C20H24N2O4/c1-13(2)16-6-4-15(5-7-16)8-9-21-19(24)12-26-20(25)18-10-17(11-22-18)14(3)23/h4-7,10-11,13,22H,8-9,12H2,1-3H3,(H,21,24)
InChIKeyFHCAEZXHONNWKC-UHFFFAOYSA-N
XLogP2.86
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-acetyl-1H-pyrrole-2-carboxylate?
The IUPAC name of [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-acetyl-1H-pyrrole-2-carboxylate (CID 9386296) is [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-acetyl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-acetyl-1H-pyrrole-2-carboxylate?
The canonical SMILES for [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-acetyl-1H-pyrrole-2-carboxylate is CC(=O)c1c[nH]c(C(=O)OCC(=O)NCCc2ccc(C(C)C)cc2)c1.
What is the InChIKey of [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-acetyl-1H-pyrrole-2-carboxylate?
The InChIKey is FHCAEZXHONNWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-13(2)16-6-4-15(5-7-16)8-9-21-19(24)12-26-20(25)18-10-17(11-22-18)14(3)23/h4-7,10-11,13,22H,8-9,12H2,1-3H3,(H,21,24).
What are the key properties of [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-acetyl-1H-pyrrole-2-carboxylate?
[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-acetyl-1H-pyrrole-2-carboxylate has a molecular weight of 356.42 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-acetyl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 9386296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).