2-[4-(diethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-1-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one

C27H34N2O3 — CID 108710264

IUPAC2-[4-(diethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-1-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCCc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)C2c2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C27H34N2O3/c1-7-18-10-14-21(15-11-18)29-23(19-12-16-20(17-13-19)28(8-2)9-3)22(24(30)26(29)32)25(31)27(4,5)6/h10-17,23,30H,7-9H2,1-6H3
InChIKeyRBCFWEOYRFUGPY-UHFFFAOYSA-N
MW434.58 g/mol
LogP5.61
Rot. Bonds7

About 2-[4-(diethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-1-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one

2-[4-(diethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-1-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one (PubChem CID 108710264) has the molecular formula C27H34N2O3 and a molecular weight of 434.58 g/mol. Its IUPAC name is 2-[4-(diethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-1-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-[4-(diethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-1-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one
PubChem CID108710264
Molecular FormulaC27H34N2O3
Molecular Weight434.58 g/mol
Exact Mass434.26
IUPAC Name2-[4-(diethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-1-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCCc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)C2c2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C27H34N2O3/c1-7-18-10-14-21(15-11-18)29-23(19-12-16-20(17-13-19)28(8-2)9-3)22(24(30)26(29)32)25(31)27(4,5)6/h10-17,23,30H,7-9H2,1-6H3
InChIKeyRBCFWEOYRFUGPY-UHFFFAOYSA-N
XLogP5.61
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(diethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 108697226
2-[4-[3-(2,2-dimethylpropanoyl)-2-(4-ethylphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]phenyl]acetic acid
CID 108683567
2-[4-[2-[4-(dimethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]phenyl]acetic acid
CID 108706410
2-[4-(diethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2H-pyrrol-5-one
CID 108710960
methyl 2-[4-[3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(4-hydroxyphenyl)-5-oxo-2H-pyrrol-1-yl]phenyl]acetate
CID 108669244
1-(4-chlorophenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108638973
1-(4-ethylphenyl)-2-(4-fluorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108600973
3-(2,2-dimethylpropanoyl)-2-(4-ethoxyphenyl)-4-hydroxy-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 108674635
propyl 4-[3-(2,2-dimethylpropanoyl)-4-hydroxy-5-oxo-2-phenyl-2H-pyrrol-1-yl]benzoate
CID 108678374
2-[4-(diethylamino)phenyl]-4-hydroxy-1-(4-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108669712
(4Z)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-[4-(diethylamino)phenyl]-1-(4-ethylphenyl)pyrrolidine-2,3-dione
CID 108710254
1-(4-ethylphenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-phenyl-2H-pyrrol-5-one
CID 108638384

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-1-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 2-[4-(diethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-1-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one (CID 108710264) is 2-[4-(diethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-1-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 2-[4-(diethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-1-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 2-[4-(diethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-1-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one is CCc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)C2c2ccc(N(CC)CC)cc2)cc1.
What is the InChIKey of 2-[4-(diethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-1-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is RBCFWEOYRFUGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O3/c1-7-18-10-14-21(15-11-18)29-23(19-12-16-20(17-13-19)28(8-2)9-3)22(24(30)26(29)32)25(31)27(4,5)6/h10-17,23,30H,7-9H2,1-6H3.
What are the key properties of 2-[4-(diethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-1-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one?
2-[4-(diethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-1-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 434.58 g/mol, XLogP of 5.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-1-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 108710264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).