2-[4-(dimethylamino)phenyl]-1-[(4-ethoxyphenyl)methyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one

C24H28N2O4 — CID 108707108

IUPAC2-[4-(dimethylamino)phenyl]-1-[(4-ethoxyphenyl)methyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
SMILESCCOc1ccc(CN2C(=O)C(O)=C(C(=O)CC)C2c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C24H28N2O4/c1-5-20(27)21-22(17-9-11-18(12-10-17)25(3)4)26(24(29)23(21)28)15-16-7-13-19(14-8-16)30-6-2/h7-14,22,28H,5-6,15H2,1-4H3
InChIKeyQMHCKMZYKFSETG-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.03
Rot. Bonds8

About 2-[4-(dimethylamino)phenyl]-1-[(4-ethoxyphenyl)methyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one

2-[4-(dimethylamino)phenyl]-1-[(4-ethoxyphenyl)methyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one (PubChem CID 108707108) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-1-[(4-ethoxyphenyl)methyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-1-[(4-ethoxyphenyl)methyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
PubChem CID108707108
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name2-[4-(dimethylamino)phenyl]-1-[(4-ethoxyphenyl)methyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
SMILESCCOc1ccc(CN2C(=O)C(O)=C(C(=O)CC)C2c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C24H28N2O4/c1-5-20(27)21-22(17-9-11-18(12-10-17)25(3)4)26(24(29)23(21)28)15-16-7-13-19(14-8-16)30-6-2/h7-14,22,28H,5-6,15H2,1-4H3
InChIKeyQMHCKMZYKFSETG-UHFFFAOYSA-N
XLogP4.03
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(dimethylamino)phenyl]-4-hydroxy-3-propanoyl-1-propyl-2H-pyrrol-5-one
CID 108615886
2-[4-(diethylamino)phenyl]-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108711310
1,2-bis(4-ethoxyphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108674898
2-(4-tert-butylphenyl)-1-[(3-ethoxyphenyl)methyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108719778
4-hydroxy-2-(4-hydroxyphenyl)-3-propanoyl-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 108617309
1-[(4-ethoxyphenyl)methyl]-4-hydroxy-2-(4-methoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108689246
4-hydroxy-2-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-3-propanoyl-2H-pyrrol-5-one
CID 108689215
1-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108635599
(4E)-4-[(2-chloro-5-methoxyphenyl)-hydroxymethylidene]-5-[4-(dimethylamino)phenyl]-1-[(4-ethoxyphenyl)methyl]pyrrolidine-2,3-dione
CID 108707105
(4E)-5-[4-(dimethylamino)phenyl]-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-1-[(4-ethoxyphenyl)methyl]pyrrolidine-2,3-dione
CID 108707081
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(4-ethoxyphenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one
CID 108693156
3-(1-benzofuran-2-carbonyl)-1-[(4-ethoxyphenyl)methyl]-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 108689277

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-1-[(4-ethoxyphenyl)methyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-1-[(4-ethoxyphenyl)methyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one (CID 108707108) is 2-[4-(dimethylamino)phenyl]-1-[(4-ethoxyphenyl)methyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-1-[(4-ethoxyphenyl)methyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-1-[(4-ethoxyphenyl)methyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one is CCOc1ccc(CN2C(=O)C(O)=C(C(=O)CC)C2c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-1-[(4-ethoxyphenyl)methyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one?
The InChIKey is QMHCKMZYKFSETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-5-20(27)21-22(17-9-11-18(12-10-17)25(3)4)26(24(29)23(21)28)15-16-7-13-19(14-8-16)30-6-2/h7-14,22,28H,5-6,15H2,1-4H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-1-[(4-ethoxyphenyl)methyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one?
2-[4-(dimethylamino)phenyl]-1-[(4-ethoxyphenyl)methyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one has a molecular weight of 408.50 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-1-[(4-ethoxyphenyl)methyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one is sourced from PubChem (CID 108707108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).