1-benzyl-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one

C26H25NO4 — CID 3387018

IUPAC1-benzyl-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
SMILESCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)C2c2ccc(C(C)C)cc2)o1
InChIInChI=1S/C26H25NO4/c1-16(2)19-10-12-20(13-11-19)23-22(24(28)21-14-9-17(3)31-21)25(29)26(30)27(23)15-18-7-5-4-6-8-18/h4-14,16,23,29H,15H2,1-3H3
InChIKeyIIZPIUUAGQUQBX-UHFFFAOYSA-N
MW415.49 g/mol
LogP5.49
Rot. Bonds6

About 1-benzyl-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one

1-benzyl-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one (PubChem CID 3387018) has the molecular formula C26H25NO4 and a molecular weight of 415.49 g/mol. Its IUPAC name is 1-benzyl-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-benzyl-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
PubChem CID3387018
Molecular FormulaC26H25NO4
Molecular Weight415.49 g/mol
Exact Mass415.18
IUPAC Name1-benzyl-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
SMILESCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)C2c2ccc(C(C)C)cc2)o1
InChIInChI=1S/C26H25NO4/c1-16(2)19-10-12-20(13-11-19)23-22(24(28)21-14-9-17(3)31-21)25(29)26(30)27(23)15-18-7-5-4-6-8-18/h4-14,16,23,29H,15H2,1-3H3
InChIKeyIIZPIUUAGQUQBX-UHFFFAOYSA-N
XLogP5.49
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.49
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-(furan-2-carbonyl)-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 4059891
1-benzyl-4-hydroxy-3-(3-methylbutanoyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 4692036
1-benzyl-2-(furan-2-yl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 3386107
2-(4-tert-butylphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-5-one
CID 4747533
1-benzyl-4-hydroxy-2-[3-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 3425459
(2S)-1-benzyl-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-phenylmethoxyphenyl)-2H-pyrrol-5-one
CID 27304529
(2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 9498636
(2S)-1-benzyl-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 51981984
1-benzyl-2-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 3387017
(2R)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 51982033
(2R)-4-hydroxy-2-(4-methoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 985727
(2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-phenylethyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 1081158

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
The IUPAC name of 1-benzyl-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one (CID 3387018) is 1-benzyl-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-benzyl-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-benzyl-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one is Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)C2c2ccc(C(C)C)cc2)o1.
What is the InChIKey of 1-benzyl-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
The InChIKey is IIZPIUUAGQUQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO4/c1-16(2)19-10-12-20(13-11-19)23-22(24(28)21-14-9-17(3)31-21)25(29)26(30)27(23)15-18-7-5-4-6-8-18/h4-14,16,23,29H,15H2,1-3H3.
What are the key properties of 1-benzyl-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
1-benzyl-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one has a molecular weight of 415.49 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 3387018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).