1-[3-(dimethylamino)propyl]-2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one

C21H30N2O5 — CID 108693286

IUPAC1-[3-(dimethylamino)propyl]-2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
SMILESCCOc1ccc(C2C(C(=O)CC)=C(O)C(=O)N2CCCN(C)C)cc1OC
InChIInChI=1S/C21H30N2O5/c1-6-15(24)18-19(14-9-10-16(28-7-2)17(13-14)27-5)23(21(26)20(18)25)12-8-11-22(3)4/h9-10,13,19,25H,6-8,11-12H2,1-5H3
InChIKeyAYFQJYDMVOAGBP-UHFFFAOYSA-N
MW390.48 g/mol
LogP2.72
Rot. Bonds10

About 1-[3-(dimethylamino)propyl]-2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one

1-[3-(dimethylamino)propyl]-2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one (PubChem CID 108693286) has the molecular formula C21H30N2O5 and a molecular weight of 390.48 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
PubChem CID108693286
Molecular FormulaC21H30N2O5
Molecular Weight390.48 g/mol
Exact Mass390.22
IUPAC Name1-[3-(dimethylamino)propyl]-2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
SMILESCCOc1ccc(C2C(C(=O)CC)=C(O)C(=O)N2CCCN(C)C)cc1OC
InChIInChI=1S/C21H30N2O5/c1-6-15(24)18-19(14-9-10-16(28-7-2)17(13-14)27-5)23(21(26)20(18)25)12-8-11-22(3)4/h9-10,13,19,25H,6-8,11-12H2,1-5H3
InChIKeyAYFQJYDMVOAGBP-UHFFFAOYSA-N
XLogP2.72
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-(dimethylamino)propyl]-2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[3-(dimethylamino)propyl]-2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 28768171
1-[3-(dimethylamino)propyl]-2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
CID 6189797
4-hydroxy-2-(3-methoxy-4-phenylmethoxyphenyl)-3-propanoyl-1-propyl-2H-pyrrol-5-one
CID 108703194
4-hydroxy-2-(3-methoxy-4-propan-2-yloxyphenyl)-1-(3-methoxypropyl)-3-propanoyl-2H-pyrrol-5-one
CID 108693363
3-(2,2-dimethylpropanoyl)-2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-1-propyl-2H-pyrrol-5-one
CID 108636356
(2R)-2-(3,4-dimethoxyphenyl)-1-[3-(dimethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 1322015
1-[3-(dimethylamino)propyl]-4-hydroxy-2-[3-(2-methylpropoxy)phenyl]-3-propanoyl-2H-pyrrol-5-one
CID 108694219
1-[2-(dimethylamino)ethyl]-2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one
CID 4865796
1-[3-(dimethylamino)propyl]-2-(3-ethoxy-4-propoxyphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 3373740
1-[3-(dimethylamino)propyl]-2-(3-ethoxy-4-propoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 3394448
(4Z)-1-[3-(dimethylamino)propyl]-5-(4-ethoxy-3-methoxyphenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
CID 6053091
2-(3,4-dimethoxyphenyl)-1-[3-(dimethylamino)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 3700039

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one?
The IUPAC name of 1-[3-(dimethylamino)propyl]-2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one (CID 108693286) is 1-[3-(dimethylamino)propyl]-2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one is CCOc1ccc(C2C(C(=O)CC)=C(O)C(=O)N2CCCN(C)C)cc1OC.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one?
The InChIKey is AYFQJYDMVOAGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O5/c1-6-15(24)18-19(14-9-10-16(28-7-2)17(13-14)27-5)23(21(26)20(18)25)12-8-11-22(3)4/h9-10,13,19,25H,6-8,11-12H2,1-5H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one?
1-[3-(dimethylamino)propyl]-2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one has a molecular weight of 390.48 g/mol, XLogP of 2.72, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one is sourced from PubChem (CID 108693286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).