4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-phenyl-3-(3-phenylpropanoyl)-2H-pyrrol-5-one

C23H25NO5 — CID 3259346

IUPAC4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-phenyl-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
SMILESO=C(CCc1ccccc1)C1=C(O)C(=O)N(CCOCCO)C1c1ccccc1
InChIInChI=1S/C23H25NO5/c25-14-16-29-15-13-24-21(18-9-5-2-6-10-18)20(22(27)23(24)28)19(26)12-11-17-7-3-1-4-8-17/h1-10,21,25,27H,11-16H2
InChIKeyNGYXTDJAGDDNTJ-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.59
Rot. Bonds10

About 4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-phenyl-3-(3-phenylpropanoyl)-2H-pyrrol-5-one

4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-phenyl-3-(3-phenylpropanoyl)-2H-pyrrol-5-one (PubChem CID 3259346) has the molecular formula C23H25NO5 and a molecular weight of 395.46 g/mol. Its IUPAC name is 4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-phenyl-3-(3-phenylpropanoyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-phenyl-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
PubChem CID3259346
Molecular FormulaC23H25NO5
Molecular Weight395.46 g/mol
Exact Mass395.17
IUPAC Name4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-phenyl-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
SMILESO=C(CCc1ccccc1)C1=C(O)C(=O)N(CCOCCO)C1c1ccccc1
InChIInChI=1S/C23H25NO5/c25-14-16-29-15-13-24-21(18-9-5-2-6-10-18)20(22(27)23(24)28)19(26)12-11-17-7-3-1-4-8-17/h1-10,21,25,27H,11-16H2
InChIKeyNGYXTDJAGDDNTJ-UHFFFAOYSA-N
XLogP2.59
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethoxyphenyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 3485641
4-hydroxy-1-(3-methoxypropyl)-2-phenyl-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108640302
1-butyl-4-hydroxy-2-[3-(2-hydroxyethoxy)phenyl]-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108664847
2-(4-chlorophenyl)-4-hydroxy-3-(3-phenylpropanoyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
CID 108599952
2-(4-butoxyphenyl)-4-hydroxy-3-(3-phenylpropanoyl)-1-propyl-2H-pyrrol-5-one
CID 108636288
2-(4-chlorophenyl)-4-hydroxy-1-(3-methoxypropyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108641373
4-hydroxy-1-(3-methoxypropyl)-2-(3-methylphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108619786
(2R)-1-benzyl-4-hydroxy-2-(4-methoxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 981020
1-benzyl-4-hydroxy-2-(3-methoxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 5056727
1-butyl-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108631390
4-hydroxy-3-(3-phenylpropanoyl)-1-(3-propan-2-yloxypropyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108631711
1-butyl-2-(3-ethoxyphenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108636693

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-phenyl-3-(3-phenylpropanoyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-phenyl-3-(3-phenylpropanoyl)-2H-pyrrol-5-one (CID 3259346) is 4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-phenyl-3-(3-phenylpropanoyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-phenyl-3-(3-phenylpropanoyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-phenyl-3-(3-phenylpropanoyl)-2H-pyrrol-5-one is O=C(CCc1ccccc1)C1=C(O)C(=O)N(CCOCCO)C1c1ccccc1.
What is the InChIKey of 4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-phenyl-3-(3-phenylpropanoyl)-2H-pyrrol-5-one?
The InChIKey is NGYXTDJAGDDNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO5/c25-14-16-29-15-13-24-21(18-9-5-2-6-10-18)20(22(27)23(24)28)19(26)12-11-17-7-3-1-4-8-17/h1-10,21,25,27H,11-16H2.
What are the key properties of 4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-phenyl-3-(3-phenylpropanoyl)-2H-pyrrol-5-one?
4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-phenyl-3-(3-phenylpropanoyl)-2H-pyrrol-5-one has a molecular weight of 395.46 g/mol, XLogP of 2.59, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-phenyl-3-(3-phenylpropanoyl)-2H-pyrrol-5-one is sourced from PubChem (CID 3259346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).