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

C25H32N2O5 — CID 661640

IUPAC1-[3-(diethylamino)propyl]-2-(4-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
SMILESCCOc1ccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCN(CC)CC)cc1
InChIInChI=1S/C25H32N2O5/c1-5-26(6-2)15-8-16-27-22(18-10-12-19(13-11-18)31-7-3)21(24(29)25(27)30)23(28)20-14-9-17(4)32-20/h9-14,22,29H,5-8,15-16H2,1-4H3
InChIKeyMFPJJOWAZYAEKR-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.30
Rot. Bonds11

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

1-[3-(diethylamino)propyl]-2-(4-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 661640) has the molecular formula C25H32N2O5 and a molecular weight of 440.54 g/mol. Its IUPAC name is 1-[3-(diethylamino)propyl]-2-(4-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[3-(diethylamino)propyl]-2-(4-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
PubChem CID661640
Molecular FormulaC25H32N2O5
Molecular Weight440.54 g/mol
Exact Mass440.23
IUPAC Name1-[3-(diethylamino)propyl]-2-(4-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
SMILESCCOc1ccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCN(CC)CC)cc1
InChIInChI=1S/C25H32N2O5/c1-5-26(6-2)15-8-16-27-22(18-10-12-19(13-11-18)31-7-3)21(24(29)25(27)30)23(28)20-14-9-17(4)32-20/h9-14,22,29H,5-8,15-16H2,1-4H3
InChIKeyMFPJJOWAZYAEKR-UHFFFAOYSA-N
XLogP4.30
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholinoethyl)-2H-pyrrol-5-one
CID 2909444
5-(4-BR-PH)-4-(2-Furoyl)-3-HO-1-(3-methoxypropyl)-1,5-dihydro-2H-pyrrol-2-one
CID 661728
4-(2-Furoyl)-1-(2-furylmethyl)-3-hydroxy-5-(3-hydroxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2934348
Furan-2-yl-[4-(4-methoxy-benzoyl)-piperidin-1-yl]-methanone
CID 652876
{(2S)-1-[(3-methyl-5-propyl-1-benzofuran-2-yl)carbonyl]pyrrolidin-2-yl}methanol
CID 23723343
1-[2-(dimethylamino)ethyl]-5-(2-fluorophenyl)-4-(2-furoyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
CID 2909905
4-(furan-2-carbonyl)-3-hydroxy-5-(4-methoxyphenyl)-1-(2-morpholinoethyl)-1H-pyrrol-2(5H)-one
CID 2910339
N-[3-(furan-2-yl)-3-phenylpropyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 3768297
3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-isopropyl-2H-pyrrol-5-one
CID 513238
3-Acetyl-2-(2-furyl)-4-hydroxy-5-oxo-1-benzyl-3-pyrroline
CID 653772
4-hydroxy-2-(3-methoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 2918603
3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one
CID 22937611

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)propyl]-2-(4-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 1-[3-(diethylamino)propyl]-2-(4-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one (CID 661640) is 1-[3-(diethylamino)propyl]-2-(4-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-[3-(diethylamino)propyl]-2-(4-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-[3-(diethylamino)propyl]-2-(4-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one is CCOc1ccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCN(CC)CC)cc1.
What is the InChIKey of 1-[3-(diethylamino)propyl]-2-(4-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is MFPJJOWAZYAEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O5/c1-5-26(6-2)15-8-16-27-22(18-10-12-19(13-11-18)31-7-3)21(24(29)25(27)30)23(28)20-14-9-17(4)32-20/h9-14,22,29H,5-8,15-16H2,1-4H3.
What are the key properties of 1-[3-(diethylamino)propyl]-2-(4-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?
1-[3-(diethylamino)propyl]-2-(4-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 440.54 g/mol, XLogP of 4.30, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)propyl]-2-(4-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 661640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).