1-[3-(dimethylamino)phenyl]-3-hydroxy-4-(2-methoxyphenyl)pyrrole-2,5-dione

C19H18N2O4 — CID 110581667

IUPAC1-[3-(dimethylamino)phenyl]-3-hydroxy-4-(2-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(O)C(=O)N(c2cccc(N(C)C)c2)C1=O
InChIInChI=1S/C19H18N2O4/c1-20(2)12-7-6-8-13(11-12)21-18(23)16(17(22)19(21)24)14-9-4-5-10-15(14)25-3/h4-11,22H,1-3H3
InChIKeyNDGOUWJABOEXSD-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.60
Rot. Bonds4

About 1-[3-(dimethylamino)phenyl]-3-hydroxy-4-(2-methoxyphenyl)pyrrole-2,5-dione

1-[3-(dimethylamino)phenyl]-3-hydroxy-4-(2-methoxyphenyl)pyrrole-2,5-dione (PubChem CID 110581667) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 1-[3-(dimethylamino)phenyl]-3-hydroxy-4-(2-methoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-(dimethylamino)phenyl]-3-hydroxy-4-(2-methoxyphenyl)pyrrole-2,5-dione
PubChem CID110581667
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name1-[3-(dimethylamino)phenyl]-3-hydroxy-4-(2-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(O)C(=O)N(c2cccc(N(C)C)c2)C1=O
InChIInChI=1S/C19H18N2O4/c1-20(2)12-7-6-8-13(11-12)21-18(23)16(17(22)19(21)24)14-9-4-5-10-15(14)25-3/h4-11,22H,1-3H3
InChIKeyNDGOUWJABOEXSD-UHFFFAOYSA-N
XLogP2.60
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-4-(2-methoxyphenyl)-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110581547
1-(3,5-dimethylphenyl)-3-hydroxy-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110581616
1-[3-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione
CID 110584410
3-(5-chloro-2-methylanilino)-1-[3-(dimethylamino)phenyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598587
3-(3,4-dihydro-2H-quinolin-1-yl)-1-[3-(dimethylamino)phenyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110567714
4-[3-hydroxy-4-(2-methoxyphenyl)-2,5-dioxopyrrol-1-yl]benzenesulfonamide
CID 110581640
1-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110567390
3-chloro-1-(3-fluorophenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110583846
3-hydroxy-1-(3-methoxyphenyl)-4-phenylpyrrole-2,5-dione
CID 110581161
3-chloro-4-(2-methoxyphenyl)-1-phenylpyrrole-2,5-dione
CID 110583869
3-chloro-4-(2-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110583854
3-(3,4-dimethoxyphenyl)-4-hydroxy-1-(3-methylphenyl)pyrrole-2,5-dione
CID 110581509

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)phenyl]-3-hydroxy-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-[3-(dimethylamino)phenyl]-3-hydroxy-4-(2-methoxyphenyl)pyrrole-2,5-dione (CID 110581667) is 1-[3-(dimethylamino)phenyl]-3-hydroxy-4-(2-methoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-[3-(dimethylamino)phenyl]-3-hydroxy-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-[3-(dimethylamino)phenyl]-3-hydroxy-4-(2-methoxyphenyl)pyrrole-2,5-dione is COc1ccccc1C1=C(O)C(=O)N(c2cccc(N(C)C)c2)C1=O.
What is the InChIKey of 1-[3-(dimethylamino)phenyl]-3-hydroxy-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The InChIKey is NDGOUWJABOEXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-20(2)12-7-6-8-13(11-12)21-18(23)16(17(22)19(21)24)14-9-4-5-10-15(14)25-3/h4-11,22H,1-3H3.
What are the key properties of 1-[3-(dimethylamino)phenyl]-3-hydroxy-4-(2-methoxyphenyl)pyrrole-2,5-dione?
1-[3-(dimethylamino)phenyl]-3-hydroxy-4-(2-methoxyphenyl)pyrrole-2,5-dione has a molecular weight of 338.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)phenyl]-3-hydroxy-4-(2-methoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110581667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).