3-acetyl-1-benzyl-4-(2-hydroxyethylamino)-2-phenyl-2H-pyrrol-5-one

C21H22N2O3 — CID 71764257

IUPAC3-acetyl-1-benzyl-4-(2-hydroxyethylamino)-2-phenyl-2H-pyrrol-5-one
SMILESCC(=O)C1=C(NCCO)C(=O)N(Cc2ccccc2)C1c1ccccc1
InChIInChI=1S/C21H22N2O3/c1-15(25)18-19(22-12-13-24)21(26)23(14-16-8-4-2-5-9-16)20(18)17-10-6-3-7-11-17/h2-11,20,22,24H,12-14H2,1H3
InChIKeyCVVJXWLGTRALBI-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.20
Rot. Bonds7

About 3-acetyl-1-benzyl-4-(2-hydroxyethylamino)-2-phenyl-2H-pyrrol-5-one

3-acetyl-1-benzyl-4-(2-hydroxyethylamino)-2-phenyl-2H-pyrrol-5-one (PubChem CID 71764257) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-acetyl-1-benzyl-4-(2-hydroxyethylamino)-2-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-acetyl-1-benzyl-4-(2-hydroxyethylamino)-2-phenyl-2H-pyrrol-5-one
PubChem CID71764257
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name3-acetyl-1-benzyl-4-(2-hydroxyethylamino)-2-phenyl-2H-pyrrol-5-one
SMILESCC(=O)C1=C(NCCO)C(=O)N(Cc2ccccc2)C1c1ccccc1
InChIInChI=1S/C21H22N2O3/c1-15(25)18-19(22-12-13-24)21(26)23(14-16-8-4-2-5-9-16)20(18)17-10-6-3-7-11-17/h2-11,20,22,24H,12-14H2,1H3
InChIKeyCVVJXWLGTRALBI-UHFFFAOYSA-N
XLogP2.20
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-1-benzyl-4-hydroxy-2-(4-methylphenyl)-2H-pyrrol-5-one
CID 22725660
3-acetyl-1-benzyl-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 3151830
3-acetyl-4-hydroxy-2-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one
CID 10177458
3-acetyl-4-hydroxy-2-phenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 649635
(2S)-3-acetyl-4-hydroxy-2-phenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 699369
(2S)-3-acetyl-4-hydroxy-1-(3-hydroxypropyl)-2-phenyl-2H-pyrrol-5-one
CID 7385645
3-acetyl-4-hydroxy-1-(3-hydroxypropyl)-2-phenyl-2H-pyrrol-5-one
CID 2868300
(2S)-1-benzyl-3-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 1284533
3-acetyl-1-hexyl-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 2875928
(2S)-3-acetyl-1-hexyl-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 7386685
2-[1-(1-benzyl-2-oxo-4-phenylazetidin-3-ylidene)but-2-en-2-ylamino]oxyacetic acid
CID 57225796
3-acetyl-1-(2-aminoethyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 583186

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-benzyl-4-(2-hydroxyethylamino)-2-phenyl-2H-pyrrol-5-one?
The IUPAC name of 3-acetyl-1-benzyl-4-(2-hydroxyethylamino)-2-phenyl-2H-pyrrol-5-one (CID 71764257) is 3-acetyl-1-benzyl-4-(2-hydroxyethylamino)-2-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-acetyl-1-benzyl-4-(2-hydroxyethylamino)-2-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 3-acetyl-1-benzyl-4-(2-hydroxyethylamino)-2-phenyl-2H-pyrrol-5-one is CC(=O)C1=C(NCCO)C(=O)N(Cc2ccccc2)C1c1ccccc1.
What is the InChIKey of 3-acetyl-1-benzyl-4-(2-hydroxyethylamino)-2-phenyl-2H-pyrrol-5-one?
The InChIKey is CVVJXWLGTRALBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-15(25)18-19(22-12-13-24)21(26)23(14-16-8-4-2-5-9-16)20(18)17-10-6-3-7-11-17/h2-11,20,22,24H,12-14H2,1H3.
What are the key properties of 3-acetyl-1-benzyl-4-(2-hydroxyethylamino)-2-phenyl-2H-pyrrol-5-one?
3-acetyl-1-benzyl-4-(2-hydroxyethylamino)-2-phenyl-2H-pyrrol-5-one has a molecular weight of 350.42 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-benzyl-4-(2-hydroxyethylamino)-2-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 71764257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).