1-[4-(diethylamino)phenyl]-4-hydroxy-2-(3-methylphenyl)-3-propanoyl-2H-pyrrol-5-one

C24H28N2O3 — CID 108669941

IUPAC1-[4-(diethylamino)phenyl]-4-hydroxy-2-(3-methylphenyl)-3-propanoyl-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(c2ccc(N(CC)CC)cc2)C1c1cccc(C)c1
InChIInChI=1S/C24H28N2O3/c1-5-20(27)21-22(17-10-8-9-16(4)15-17)26(24(29)23(21)28)19-13-11-18(12-14-19)25(6-2)7-3/h8-15,22,28H,5-7H2,1-4H3
InChIKeyZUFZQMZMDVWOCO-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.72
Rot. Bonds7

About 1-[4-(diethylamino)phenyl]-4-hydroxy-2-(3-methylphenyl)-3-propanoyl-2H-pyrrol-5-one

1-[4-(diethylamino)phenyl]-4-hydroxy-2-(3-methylphenyl)-3-propanoyl-2H-pyrrol-5-one (PubChem CID 108669941) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-[4-(diethylamino)phenyl]-4-hydroxy-2-(3-methylphenyl)-3-propanoyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[4-(diethylamino)phenyl]-4-hydroxy-2-(3-methylphenyl)-3-propanoyl-2H-pyrrol-5-one
PubChem CID108669941
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name1-[4-(diethylamino)phenyl]-4-hydroxy-2-(3-methylphenyl)-3-propanoyl-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(c2ccc(N(CC)CC)cc2)C1c1cccc(C)c1
InChIInChI=1S/C24H28N2O3/c1-5-20(27)21-22(17-10-8-9-16(4)15-17)26(24(29)23(21)28)19-13-11-18(12-14-19)25(6-2)7-3/h8-15,22,28H,5-7H2,1-4H3
InChIKeyZUFZQMZMDVWOCO-UHFFFAOYSA-N
XLogP4.72
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(diethylamino)phenyl]-4-hydroxy-3-(3-methylbutanoyl)-2-(3-methylphenyl)-2H-pyrrol-5-one
CID 108669944
1-[4-(diethylamino)phenyl]-4-hydroxy-2-(3-hydroxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108681489
1-(3-chlorophenyl)-2-[4-(diethylamino)phenyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108710788
1-(1,3-benzodioxol-5-yl)-4-hydroxy-2-(3-methylphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108584077
1-(3-fluorophenyl)-4-hydroxy-2-(3-methylphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108618551
2-methylpropyl 4-[4-hydroxy-2-(3-methylphenyl)-5-oxo-3-propanoyl-2H-pyrrol-1-yl]benzoate
CID 108714299
2-(3-ethoxyphenyl)-4-hydroxy-1-(3-methylphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108596064
3-(1-benzofuran-2-carbonyl)-1-[4-(diethylamino)phenyl]-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one
CID 108681462
2-(3,4-dichlorophenyl)-4-hydroxy-1-(4-methylphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108680275
2-[4-(diethylamino)phenyl]-4-hydroxy-1-(4-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108669712
2-[4-(diethylamino)phenyl]-1-(3,4-dimethylphenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108710457
1-(4-fluorophenyl)-4-hydroxy-2-phenyl-3-propanoyl-2H-pyrrol-5-one
CID 108638122

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)phenyl]-4-hydroxy-2-(3-methylphenyl)-3-propanoyl-2H-pyrrol-5-one?
The IUPAC name of 1-[4-(diethylamino)phenyl]-4-hydroxy-2-(3-methylphenyl)-3-propanoyl-2H-pyrrol-5-one (CID 108669941) is 1-[4-(diethylamino)phenyl]-4-hydroxy-2-(3-methylphenyl)-3-propanoyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-[4-(diethylamino)phenyl]-4-hydroxy-2-(3-methylphenyl)-3-propanoyl-2H-pyrrol-5-one?
The canonical SMILES for 1-[4-(diethylamino)phenyl]-4-hydroxy-2-(3-methylphenyl)-3-propanoyl-2H-pyrrol-5-one is CCC(=O)C1=C(O)C(=O)N(c2ccc(N(CC)CC)cc2)C1c1cccc(C)c1.
What is the InChIKey of 1-[4-(diethylamino)phenyl]-4-hydroxy-2-(3-methylphenyl)-3-propanoyl-2H-pyrrol-5-one?
The InChIKey is ZUFZQMZMDVWOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-5-20(27)21-22(17-10-8-9-16(4)15-17)26(24(29)23(21)28)19-13-11-18(12-14-19)25(6-2)7-3/h8-15,22,28H,5-7H2,1-4H3.
What are the key properties of 1-[4-(diethylamino)phenyl]-4-hydroxy-2-(3-methylphenyl)-3-propanoyl-2H-pyrrol-5-one?
1-[4-(diethylamino)phenyl]-4-hydroxy-2-(3-methylphenyl)-3-propanoyl-2H-pyrrol-5-one has a molecular weight of 392.50 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)phenyl]-4-hydroxy-2-(3-methylphenyl)-3-propanoyl-2H-pyrrol-5-one is sourced from PubChem (CID 108669941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).