1-ethyl-4-hydroxy-5-oxo-N-[(1R)-5-phenyl-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide

C22H22N2O3 — CID 90330607

IUPAC1-ethyl-4-hydroxy-5-oxo-N-[(1R)-5-phenyl-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide
SMILESCCN1CC(C(=O)N[C@@H]2CCc3cc(-c4ccccc4)ccc32)=C(O)C1=O
InChIInChI=1S/C22H22N2O3/c1-2-24-13-18(20(25)22(24)27)21(26)23-19-11-9-16-12-15(8-10-17(16)19)14-6-4-3-5-7-14/h3-8,10,12,19,25H,2,9,11,13H2,1H3,(H,23,26)/t19-/m1/s1
InChIKeyBELHBDAPHQNEMY-LJQANCHMSA-N
MW362.43 g/mol
LogP3.13
Rot. Bonds4

About 1-ethyl-4-hydroxy-5-oxo-N-[(1R)-5-phenyl-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide

1-ethyl-4-hydroxy-5-oxo-N-[(1R)-5-phenyl-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide (PubChem CID 90330607) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-ethyl-4-hydroxy-5-oxo-N-[(1R)-5-phenyl-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-hydroxy-5-oxo-N-[(1R)-5-phenyl-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide
PubChem CID90330607
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name1-ethyl-4-hydroxy-5-oxo-N-[(1R)-5-phenyl-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide
SMILESCCN1CC(C(=O)N[C@@H]2CCc3cc(-c4ccccc4)ccc32)=C(O)C1=O
InChIInChI=1S/C22H22N2O3/c1-2-24-13-18(20(25)22(24)27)21(26)23-19-11-9-16-12-15(8-10-17(16)19)14-6-4-3-5-7-14/h3-8,10,12,19,25H,2,9,11,13H2,1H3,(H,23,26)/t19-/m1/s1
InChIKeyBELHBDAPHQNEMY-LJQANCHMSA-N
XLogP3.13
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-4-hydroxy-5-oxo-N-[(1R)-5-phenyl-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide 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 1-ethyl-4-hydroxy-5-oxo-N-[(1R)-5-phenyl-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide?
The IUPAC name of 1-ethyl-4-hydroxy-5-oxo-N-[(1R)-5-phenyl-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide (CID 90330607) is 1-ethyl-4-hydroxy-5-oxo-N-[(1R)-5-phenyl-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide.
What is the SMILES notation for 1-ethyl-4-hydroxy-5-oxo-N-[(1R)-5-phenyl-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide?
The canonical SMILES for 1-ethyl-4-hydroxy-5-oxo-N-[(1R)-5-phenyl-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide is CCN1CC(C(=O)N[C@@H]2CCc3cc(-c4ccccc4)ccc32)=C(O)C1=O.
What is the InChIKey of 1-ethyl-4-hydroxy-5-oxo-N-[(1R)-5-phenyl-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide?
The InChIKey is BELHBDAPHQNEMY-LJQANCHMSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-2-24-13-18(20(25)22(24)27)21(26)23-19-11-9-16-12-15(8-10-17(16)19)14-6-4-3-5-7-14/h3-8,10,12,19,25H,2,9,11,13H2,1H3,(H,23,26)/t19-/m1/s1.
What are the key properties of 1-ethyl-4-hydroxy-5-oxo-N-[(1R)-5-phenyl-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide?
1-ethyl-4-hydroxy-5-oxo-N-[(1R)-5-phenyl-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-hydroxy-5-oxo-N-[(1R)-5-phenyl-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 90330607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).