1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one

C24H24N2O5 — CID 21008389

IUPAC1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one
SMILESCc1cccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CC(c2ccco2)N(C)C)c1
InChIInChI=1S/C24H24N2O5/c1-15-7-4-8-16(13-15)21-20(22(27)19-10-6-12-31-19)23(28)24(29)26(21)14-17(25(2)3)18-9-5-11-30-18/h4-13,17,21,28H,14H2,1-3H3
InChIKeyKIXLLUIZCLJWFR-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.06
Rot. Bonds7

About 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one

1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one (PubChem CID 21008389) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one
PubChem CID21008389
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Name1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one
SMILESCc1cccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CC(c2ccco2)N(C)C)c1
InChIInChI=1S/C24H24N2O5/c1-15-7-4-8-16(13-15)21-20(22(27)19-10-6-12-31-19)23(28)24(29)26(21)14-17(25(2)3)18-9-5-11-30-18/h4-13,17,21,28H,14H2,1-3H3
InChIKeyKIXLLUIZCLJWFR-UHFFFAOYSA-N
XLogP4.06
TPSA87.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 21008399
3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
CID 108619251
1-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one
CID 108584429
3-(furan-2-carbonyl)-1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one
CID 21008411
3-(furan-2-carbonyl)-4-hydroxy-1-(4-methoxyphenyl)-2-(3-methylphenyl)-2H-pyrrol-5-one
CID 108584255
2-(3-chloro-4-hydroxy-5-methoxyphenyl)-1-[2-(dimethylamino)-2-phenylethyl]-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 21008322
3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 108670553
(2S)-3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one
CID 1083217
3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(3-methylphenyl)-2H-pyrrol-5-one
CID 108616568
3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-(2-methoxyethyl)-2H-pyrrol-5-one
CID 2917899
1-(3-chloro-4-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one
CID 108670032
1-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one
CID 108714651

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one?
The IUPAC name of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one (CID 21008389) is 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one is Cc1cccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CC(c2ccco2)N(C)C)c1.
What is the InChIKey of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one?
The InChIKey is KIXLLUIZCLJWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-15-7-4-8-16(13-15)21-20(22(27)19-10-6-12-31-19)23(28)24(29)26(21)14-17(25(2)3)18-9-5-11-30-18/h4-13,17,21,28H,14H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one?
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one has a molecular weight of 420.47 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 21008389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).