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

C30H32N2O4 — CID 108710892

IUPAC2-[4-(diethylamino)phenyl]-4-hydroxy-1-(2-methoxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
SMILESCCN(CC)c1ccc(C2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccccc2OC)cc1
InChIInChI=1S/C30H32N2O4/c1-4-31(5-2)23-18-16-22(17-19-23)28-27(25(33)20-15-21-11-7-6-8-12-21)29(34)30(35)32(28)24-13-9-10-14-26(24)36-3/h6-14,16-19,28,34H,4-5,15,20H2,1-3H3
InChIKeyBGOKDYWHEHNNDZ-UHFFFAOYSA-N
MW484.60 g/mol
LogP5.64
Rot. Bonds10

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

2-[4-(diethylamino)phenyl]-4-hydroxy-1-(2-methoxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one (PubChem CID 108710892) has the molecular formula C30H32N2O4 and a molecular weight of 484.60 g/mol. Its IUPAC name is 2-[4-(diethylamino)phenyl]-4-hydroxy-1-(2-methoxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-[4-(diethylamino)phenyl]-4-hydroxy-1-(2-methoxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
PubChem CID108710892
Molecular FormulaC30H32N2O4
Molecular Weight484.60 g/mol
Exact Mass484.24
IUPAC Name2-[4-(diethylamino)phenyl]-4-hydroxy-1-(2-methoxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
SMILESCCN(CC)c1ccc(C2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccccc2OC)cc1
InChIInChI=1S/C30H32N2O4/c1-4-31(5-2)23-18-16-22(17-19-23)28-27(25(33)20-15-21-11-7-6-8-12-21)29(34)30(35)32(28)24-13-9-10-14-26(24)36-3/h6-14,16-19,28,34H,4-5,15,20H2,1-3H3
InChIKeyBGOKDYWHEHNNDZ-UHFFFAOYSA-N
XLogP5.64
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(diethylamino)phenyl]-1-(3,4-dimethylphenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108710457
1-(2,3-dimethylphenyl)-4-hydroxy-2-(4-methoxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108576139
1-(2,5-difluorophenyl)-2-(3-ethoxy-4-methoxyphenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108704864
2-(4-ethoxyphenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108693061
1-(3,4-dimethylphenyl)-4-hydroxy-2-(4-methoxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108575965
4-hydroxy-2-(4-hydroxyphenyl)-1-(2-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108582777
4-hydroxy-1-(3-methoxyphenyl)-2-phenyl-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108637636
(4Z)-4-[(4-bromophenyl)-hydroxymethylidene]-5-[4-(diethylamino)phenyl]-1-(2-methoxyphenyl)pyrrolidine-2,3-dione
CID 108710854
1-(3,4-dimethylphenyl)-2-(3-ethoxy-4-methoxyphenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108703994
N-[4-[4-hydroxy-2-(2-methoxyphenyl)-5-oxo-3-(3-phenylpropanoyl)-2H-pyrrol-1-yl]phenyl]acetamide
CID 108667786
(2R)-1-benzyl-4-hydroxy-2-(4-methoxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 981020
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-2-(4-methoxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108665456

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)phenyl]-4-hydroxy-1-(2-methoxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one?
The IUPAC name of 2-[4-(diethylamino)phenyl]-4-hydroxy-1-(2-methoxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one (CID 108710892) is 2-[4-(diethylamino)phenyl]-4-hydroxy-1-(2-methoxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-[4-(diethylamino)phenyl]-4-hydroxy-1-(2-methoxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-[4-(diethylamino)phenyl]-4-hydroxy-1-(2-methoxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one is CCN(CC)c1ccc(C2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccccc2OC)cc1.
What is the InChIKey of 2-[4-(diethylamino)phenyl]-4-hydroxy-1-(2-methoxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one?
The InChIKey is BGOKDYWHEHNNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O4/c1-4-31(5-2)23-18-16-22(17-19-23)28-27(25(33)20-15-21-11-7-6-8-12-21)29(34)30(35)32(28)24-13-9-10-14-26(24)36-3/h6-14,16-19,28,34H,4-5,15,20H2,1-3H3.
What are the key properties of 2-[4-(diethylamino)phenyl]-4-hydroxy-1-(2-methoxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one?
2-[4-(diethylamino)phenyl]-4-hydroxy-1-(2-methoxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one has a molecular weight of 484.60 g/mol, XLogP of 5.64, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)phenyl]-4-hydroxy-1-(2-methoxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108710892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).