1-hydroxy-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide

C20H20N2O2 — CID 140995763

IUPAC1-hydroxy-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide
SMILESCC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)cn1O
InChIInChI=1S/C20H20N2O2/c1-14(2)19-18(20(23)21-16-11-7-4-8-12-16)17(13-22(19)24)15-9-5-3-6-10-15/h3-14,24H,1-2H3,(H,21,23)
InChIKeyRPYSKCISBPSDHX-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.77
Rot. Bonds4

About 1-hydroxy-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide

1-hydroxy-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide (PubChem CID 140995763) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-hydroxy-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide
PubChem CID140995763
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name1-hydroxy-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide
SMILESCC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)cn1O
InChIInChI=1S/C20H20N2O2/c1-14(2)19-18(20(23)21-16-11-7-4-8-12-16)17(13-22(19)24)15-9-5-3-6-10-15/h3-14,24H,1-2H3,(H,21,23)
InChIKeyRPYSKCISBPSDHX-UHFFFAOYSA-N
XLogP4.77
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[7-(dibenzylamino)-7-oxoheptyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide
CID 67841180
1-formyl-4-phenyl-2-propan-2-ylpyrrole-3-carboxylic acid
CID 154061884
2,3,4,5,6-pentamethyl-N-phenylbenzamide
CID 60629319
1-methyl-N-phenylpyrrole-3-carboxamide
CID 110762710
2-methyl-5-oxo-N,3-diphenyl-1,2-oxazole-4-carboxamide
CID 110681206
5-(2-fluorophenyl)-N,4-diphenyl-2-propan-2-yl-1H-pyrrole-3-carboxamide
CID 67810606
5-(4-fluorophenyl)-1-pentyl-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide
CID 16751805
N,5-bis(4-fluorophenyl)-1-[(2S,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide
CID 11956561
1-(4-aminobutyl)-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide
CID 11956447
N,4-diphenylpyridine-3-carboxamide
CID 13115140
5-methyl-2-(4-methylphenyl)-N-phenylbenzamide
CID 173213744
N-phenyl-6-propan-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 68614845

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide?
The IUPAC name of 1-hydroxy-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide (CID 140995763) is 1-hydroxy-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for 1-hydroxy-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide?
The canonical SMILES for 1-hydroxy-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide is CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)cn1O.
What is the InChIKey of 1-hydroxy-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide?
The InChIKey is RPYSKCISBPSDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-14(2)19-18(20(23)21-16-11-7-4-8-12-16)17(13-22(19)24)15-9-5-3-6-10-15/h3-14,24H,1-2H3,(H,21,23).
What are the key properties of 1-hydroxy-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide?
1-hydroxy-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 140995763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).