1-benzyl-N-(4-cyclohexylphenyl)-3-hydroxy-5-oxo-2H-pyrrole-4-carboxamide

C24H26N2O3 — CID 54733935

IUPAC1-benzyl-N-(4-cyclohexylphenyl)-3-hydroxy-5-oxo-2H-pyrrole-4-carboxamide
SMILESO=C(Nc1ccc(C2CCCCC2)cc1)C1=C(O)CN(Cc2ccccc2)C1=O
InChIInChI=1S/C24H26N2O3/c27-21-16-26(15-17-7-3-1-4-8-17)24(29)22(21)23(28)25-20-13-11-19(12-14-20)18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18,27H,2,5-6,9-10,15-16H2,(H,25,28)
InChIKeyJKRIQNNJCFTRAF-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.53
Rot. Bonds5

About 1-benzyl-N-(4-cyclohexylphenyl)-3-hydroxy-5-oxo-2H-pyrrole-4-carboxamide

1-benzyl-N-(4-cyclohexylphenyl)-3-hydroxy-5-oxo-2H-pyrrole-4-carboxamide (PubChem CID 54733935) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 1-benzyl-N-(4-cyclohexylphenyl)-3-hydroxy-5-oxo-2H-pyrrole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(4-cyclohexylphenyl)-3-hydroxy-5-oxo-2H-pyrrole-4-carboxamide
PubChem CID54733935
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name1-benzyl-N-(4-cyclohexylphenyl)-3-hydroxy-5-oxo-2H-pyrrole-4-carboxamide
SMILESO=C(Nc1ccc(C2CCCCC2)cc1)C1=C(O)CN(Cc2ccccc2)C1=O
InChIInChI=1S/C24H26N2O3/c27-21-16-26(15-17-7-3-1-4-8-17)24(29)22(21)23(28)25-20-13-11-19(12-14-20)18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18,27H,2,5-6,9-10,15-16H2,(H,25,28)
InChIKeyJKRIQNNJCFTRAF-UHFFFAOYSA-N
XLogP4.53
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(4-cyclohexylphenyl)-3-hydroxy-5-oxo-2H-pyrrole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(4-cyclohexylphenyl)-3-hydroxy-5-oxo-2H-pyrrole-4-carboxamide (CID 54733935) is 1-benzyl-N-(4-cyclohexylphenyl)-3-hydroxy-5-oxo-2H-pyrrole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(4-cyclohexylphenyl)-3-hydroxy-5-oxo-2H-pyrrole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(4-cyclohexylphenyl)-3-hydroxy-5-oxo-2H-pyrrole-4-carboxamide is O=C(Nc1ccc(C2CCCCC2)cc1)C1=C(O)CN(Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzyl-N-(4-cyclohexylphenyl)-3-hydroxy-5-oxo-2H-pyrrole-4-carboxamide?
The InChIKey is JKRIQNNJCFTRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c27-21-16-26(15-17-7-3-1-4-8-17)24(29)22(21)23(28)25-20-13-11-19(12-14-20)18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18,27H,2,5-6,9-10,15-16H2,(H,25,28).
What are the key properties of 1-benzyl-N-(4-cyclohexylphenyl)-3-hydroxy-5-oxo-2H-pyrrole-4-carboxamide?
1-benzyl-N-(4-cyclohexylphenyl)-3-hydroxy-5-oxo-2H-pyrrole-4-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(4-cyclohexylphenyl)-3-hydroxy-5-oxo-2H-pyrrole-4-carboxamide is sourced from PubChem (CID 54733935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).