1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1-methylindol-3-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one

C26H29N3O3 — CID 108605974

IUPAC1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1-methylindol-3-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
SMILESCN(C)CCN1C(=O)C(O)=C(C(=O)CCc2ccccc2)C1c1cn(C)c2ccccc12
InChIInChI=1S/C26H29N3O3/c1-27(2)15-16-29-24(20-17-28(3)21-12-8-7-11-19(20)21)23(25(31)26(29)32)22(30)14-13-18-9-5-4-6-10-18/h4-12,17,24,31H,13-16H2,1-3H3
InChIKeyGMAFKFSAWVSAKL-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.64
Rot. Bonds8

About 1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1-methylindol-3-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one

1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1-methylindol-3-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one (PubChem CID 108605974) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1-methylindol-3-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1-methylindol-3-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
PubChem CID108605974
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1-methylindol-3-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
SMILESCN(C)CCN1C(=O)C(O)=C(C(=O)CCc2ccccc2)C1c1cn(C)c2ccccc12
InChIInChI=1S/C26H29N3O3/c1-27(2)15-16-29-24(20-17-28(3)21-12-8-7-11-19(20)21)23(25(31)26(29)32)22(30)14-13-18-9-5-4-6-10-18/h4-12,17,24,31H,13-16H2,1-3H3
InChIKeyGMAFKFSAWVSAKL-UHFFFAOYSA-N
XLogP3.64
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-chloro-1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1-methylindol-3-yl)-2H-pyrrol-5-one
CID 108605975
1-[2-(diethylamino)ethyl]-4-hydroxy-2-(2-methylphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108652408
1-[3-(dimethylamino)propyl]-4-hydroxy-2-(3-methylphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108619873
1-[3-(dimethylamino)propyl]-4-hydroxy-3-(3-phenylpropanoyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 108602452
4-hydroxy-1-(3-methoxypropyl)-3-(3-methylbutanoyl)-2-(1-methylindol-3-yl)-2H-pyrrol-5-one
CID 108605873
1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(2-methylphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108652043
(4E)-1-[2-(dimethylamino)ethyl]-4-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-5-(1-methylindol-3-yl)pyrrolidine-2,3-dione
CID 108605908
1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108695685
4-hydroxy-1-(3-methoxypropyl)-2-phenyl-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108640302
4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-phenyl-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 3259346
1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108646441
2-(4-butoxyphenyl)-4-hydroxy-3-(3-phenylpropanoyl)-1-propyl-2H-pyrrol-5-one
CID 108636288

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1-methylindol-3-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1-methylindol-3-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one (CID 108605974) is 1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1-methylindol-3-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1-methylindol-3-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1-methylindol-3-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one is CN(C)CCN1C(=O)C(O)=C(C(=O)CCc2ccccc2)C1c1cn(C)c2ccccc12.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1-methylindol-3-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one?
The InChIKey is GMAFKFSAWVSAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-27(2)15-16-29-24(20-17-28(3)21-12-8-7-11-19(20)21)23(25(31)26(29)32)22(30)14-13-18-9-5-4-6-10-18/h4-12,17,24,31H,13-16H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1-methylindol-3-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one?
1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1-methylindol-3-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one has a molecular weight of 431.54 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1-methylindol-3-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108605974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).