1-[3-(diethylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one

C26H34N2O5 — CID 3463392

IUPAC1-[3-(diethylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one
SMILESCCCOc1ccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCN(CC)CC)cc1
InChIInChI=1S/C26H34N2O5/c1-5-17-32-20-12-10-19(11-13-20)23-22(24(29)21-14-9-18(4)33-21)25(30)26(31)28(23)16-8-15-27(6-2)7-3/h9-14,23,30H,5-8,15-17H2,1-4H3
InChIKeyIPJPEAXUKWPWPD-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.69
Rot. Bonds12

About 1-[3-(diethylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one

1-[3-(diethylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one (PubChem CID 3463392) has the molecular formula C26H34N2O5 and a molecular weight of 454.57 g/mol. Its IUPAC name is 1-[3-(diethylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[3-(diethylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one
PubChem CID3463392
Molecular FormulaC26H34N2O5
Molecular Weight454.57 g/mol
Exact Mass454.25
IUPAC Name1-[3-(diethylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one
SMILESCCCOc1ccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCN(CC)CC)cc1
InChIInChI=1S/C26H34N2O5/c1-5-17-32-20-12-10-19(11-13-20)23-22(24(29)21-14-9-18(4)33-21)25(30)26(31)28(23)16-8-15-27(6-2)7-3/h9-14,23,30H,5-8,15-17H2,1-4H3
InChIKeyIPJPEAXUKWPWPD-UHFFFAOYSA-N
XLogP4.69
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(4-butoxyphenyl)-4-hydroxy-1-(3-methoxypropyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 7381804
2-[(2S)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-5-oxo-2-(4-propoxyphenyl)-2H-pyrrol-1-yl]ethyl-dimethylazanium
CID 7109782
(2S)-1-[3-(dibutylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-methylphenyl)-2H-pyrrol-5-one
CID 27305556
1-[2-(diethylamino)ethyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-prop-2-enoxyphenyl)-2H-pyrrol-5-one
CID 4005648
4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(3-morpholin-4-ylpropyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one
CID 2933980
1-[3-(diethylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 661564
4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one
CID 75793923
(2S)-1-[3-(diethylamino)propyl]-4-hydroxy-2-(4-propoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 9498540
1-[2-(diethylamino)ethyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 3584441
2-(4-butoxyphenyl)-1-[3-(diethylamino)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 4735794
(2R)-1-[3-(dibutylamino)propyl]-2-(3-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 27305570
(2R)-1-[3-(diethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-propoxyphenyl)-2H-pyrrol-5-one
CID 28798406

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 1-[3-(diethylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one (CID 3463392) is 1-[3-(diethylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-[3-(diethylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-[3-(diethylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one is CCCOc1ccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCN(CC)CC)cc1.
What is the InChIKey of 1-[3-(diethylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is IPJPEAXUKWPWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O5/c1-5-17-32-20-12-10-19(11-13-20)23-22(24(29)21-14-9-18(4)33-21)25(30)26(31)28(23)16-8-15-27(6-2)7-3/h9-14,23,30H,5-8,15-17H2,1-4H3.
What are the key properties of 1-[3-(diethylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one?
1-[3-(diethylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 454.57 g/mol, XLogP of 4.69, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 3463392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).