1-[4-(diethylamino)phenyl]-3-hydroxy-4-phenylpyrrole-2,5-dione

C20H20N2O3 — CID 110581172

IUPAC1-[4-(diethylamino)phenyl]-3-hydroxy-4-phenylpyrrole-2,5-dione
SMILESCCN(CC)c1ccc(N2C(=O)C(O)=C(c3ccccc3)C2=O)cc1
InChIInChI=1S/C20H20N2O3/c1-3-21(4-2)15-10-12-16(13-11-15)22-19(24)17(18(23)20(22)25)14-8-6-5-7-9-14/h5-13,23H,3-4H2,1-2H3
InChIKeyFMFYPTHAOYOXDC-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.38
Rot. Bonds5

About 1-[4-(diethylamino)phenyl]-3-hydroxy-4-phenylpyrrole-2,5-dione

1-[4-(diethylamino)phenyl]-3-hydroxy-4-phenylpyrrole-2,5-dione (PubChem CID 110581172) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-[4-(diethylamino)phenyl]-3-hydroxy-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-(diethylamino)phenyl]-3-hydroxy-4-phenylpyrrole-2,5-dione
PubChem CID110581172
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name1-[4-(diethylamino)phenyl]-3-hydroxy-4-phenylpyrrole-2,5-dione
SMILESCCN(CC)c1ccc(N2C(=O)C(O)=C(c3ccccc3)C2=O)cc1
InChIInChI=1S/C20H20N2O3/c1-3-21(4-2)15-10-12-16(13-11-15)22-19(24)17(18(23)20(22)25)14-8-6-5-7-9-14/h5-13,23H,3-4H2,1-2H3
InChIKeyFMFYPTHAOYOXDC-UHFFFAOYSA-N
XLogP3.38
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[4-(dimethylamino)phenyl]-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110581960
3-[benzyl(methyl)amino]-1-[4-(diethylamino)phenyl]-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110543104
3-hydroxy-1-phenyl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582432
3-[4-(diethylamino)anilino]-4-(4-fluorophenyl)-1-phenylpyrrole-2,5-dione
CID 110587025
3-[benzyl(ethyl)amino]-1-(4-fluorophenyl)-4-phenylpyrrole-2,5-dione
CID 110560487
1-[4-(diethylamino)phenyl]-3-[2-hydroxyethyl(methyl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110571769
1-[4-(dimethylamino)phenyl]-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582359
3-(N-ethylanilino)-1,4-bis(4-fluorophenyl)pyrrole-2,5-dione
CID 110544657
4-[3-(N-ethylanilino)-2,5-dioxo-4-phenylpyrrol-1-yl]benzenesulfonamide
CID 110561205
1-[4-(diethylamino)phenyl]-3-(2,3-dimethylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110600289
3-[benzyl(ethyl)amino]-1-(4-ethoxyphenyl)-4-phenylpyrrole-2,5-dione
CID 110560882
3-hydroxy-1-(3-methoxyphenyl)-4-phenylpyrrole-2,5-dione
CID 110581161

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)phenyl]-3-hydroxy-4-phenylpyrrole-2,5-dione?
The IUPAC name of 1-[4-(diethylamino)phenyl]-3-hydroxy-4-phenylpyrrole-2,5-dione (CID 110581172) is 1-[4-(diethylamino)phenyl]-3-hydroxy-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 1-[4-(diethylamino)phenyl]-3-hydroxy-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 1-[4-(diethylamino)phenyl]-3-hydroxy-4-phenylpyrrole-2,5-dione is CCN(CC)c1ccc(N2C(=O)C(O)=C(c3ccccc3)C2=O)cc1.
What is the InChIKey of 1-[4-(diethylamino)phenyl]-3-hydroxy-4-phenylpyrrole-2,5-dione?
The InChIKey is FMFYPTHAOYOXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-3-21(4-2)15-10-12-16(13-11-15)22-19(24)17(18(23)20(22)25)14-8-6-5-7-9-14/h5-13,23H,3-4H2,1-2H3.
What are the key properties of 1-[4-(diethylamino)phenyl]-3-hydroxy-4-phenylpyrrole-2,5-dione?
1-[4-(diethylamino)phenyl]-3-hydroxy-4-phenylpyrrole-2,5-dione has a molecular weight of 336.39 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)phenyl]-3-hydroxy-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110581172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).