1-ethyl-4-hydroxy-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide

C19H24N2O3 — CID 90330569

IUPAC1-ethyl-4-hydroxy-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide
SMILESCCN1CC(C(=O)NC2CCC(c3ccccc3)CC2)=C(O)C1=O
InChIInChI=1S/C19H24N2O3/c1-2-21-12-16(17(22)19(21)24)18(23)20-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-7,14-15,22H,2,8-12H2,1H3,(H,20,23)
InChIKeyMIFUVIRCBFGPFO-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.50
Rot. Bonds4

About 1-ethyl-4-hydroxy-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide

1-ethyl-4-hydroxy-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide (PubChem CID 90330569) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-ethyl-4-hydroxy-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-hydroxy-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide
PubChem CID90330569
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-ethyl-4-hydroxy-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide
SMILESCCN1CC(C(=O)NC2CCC(c3ccccc3)CC2)=C(O)C1=O
InChIInChI=1S/C19H24N2O3/c1-2-21-12-16(17(22)19(21)24)18(23)20-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-7,14-15,22H,2,8-12H2,1H3,(H,20,23)
InChIKeyMIFUVIRCBFGPFO-UHFFFAOYSA-N
XLogP2.50
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-hydroxy-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide?
The IUPAC name of 1-ethyl-4-hydroxy-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide (CID 90330569) is 1-ethyl-4-hydroxy-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide.
What is the SMILES notation for 1-ethyl-4-hydroxy-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide?
The canonical SMILES for 1-ethyl-4-hydroxy-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide is CCN1CC(C(=O)NC2CCC(c3ccccc3)CC2)=C(O)C1=O.
What is the InChIKey of 1-ethyl-4-hydroxy-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide?
The InChIKey is MIFUVIRCBFGPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-2-21-12-16(17(22)19(21)24)18(23)20-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-7,14-15,22H,2,8-12H2,1H3,(H,20,23).
What are the key properties of 1-ethyl-4-hydroxy-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide?
1-ethyl-4-hydroxy-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 2.50, 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-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 90330569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).