3-(1-benzofuran-2-carbonyl)-1-benzyl-4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one

C32H31NO6 — CID 3321948

IUPAC3-(1-benzofuran-2-carbonyl)-1-benzyl-4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one
SMILESCOc1cc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C
InChIInChI=1S/C32H31NO6/c1-20(2)15-16-38-25-14-13-23(18-26(25)37-3)29-28(30(34)27-17-22-11-7-8-12-24(22)39-27)31(35)32(36)33(29)19-21-9-5-4-6-10-21/h4-14,17-18,20,29,35H,15-16,19H2,1-3H3
InChIKeyFUYFLZLJOMKXNK-UHFFFAOYSA-N
MW525.60 g/mol
LogP6.64
Rot. Bonds10

About 3-(1-benzofuran-2-carbonyl)-1-benzyl-4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one

3-(1-benzofuran-2-carbonyl)-1-benzyl-4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one (PubChem CID 3321948) has the molecular formula C32H31NO6 and a molecular weight of 525.60 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-1-benzyl-4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(1-benzofuran-2-carbonyl)-1-benzyl-4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one
PubChem CID3321948
Molecular FormulaC32H31NO6
Molecular Weight525.60 g/mol
Exact Mass525.22
IUPAC Name3-(1-benzofuran-2-carbonyl)-1-benzyl-4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one
SMILESCOc1cc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C
InChIInChI=1S/C32H31NO6/c1-20(2)15-16-38-25-14-13-23(18-26(25)37-3)29-28(30(34)27-17-22-11-7-8-12-24(22)39-27)31(35)32(36)33(29)19-21-9-5-4-6-10-21/h4-14,17-18,20,29,35H,15-16,19H2,1-3H3
InChIKeyFUYFLZLJOMKXNK-UHFFFAOYSA-N
XLogP6.64
TPSA89.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.60
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one
CID 4861962
3-(1-benzofuran-2-carbonyl)-1-[3-(diethylamino)propyl]-4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one
CID 3324347
3-(1-benzofuran-2-carbonyl)-2-(3,4-dimethoxyphenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one
CID 108701295
3-(1-benzofuran-2-carbonyl)-2-(4-butoxy-3-methoxyphenyl)-4-hydroxy-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 3272035
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-methoxy-4-pentoxyphenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one
CID 4582816
3-(1-benzofuran-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(3-methoxy-4-pentoxyphenyl)-2H-pyrrol-5-one
CID 4260282
(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-hydroxyethyl)-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one
CID 40921277
3-(1-benzofuran-2-carbonyl)-1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one
CID 3299061
3-(1-benzofuran-2-carbonyl)-1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one
CID 3293090
3-(1-benzofuran-2-carbonyl)-1-benzyl-4-hydroxy-2-(4-phenylmethoxyphenyl)-2H-pyrrol-5-one
CID 4175163
3-(1-benzofuran-2-carbonyl)-1-[(4-ethoxyphenyl)methyl]-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 108689277
3-(1-benzofuran-2-carbonyl)-1-[2-(diethylamino)ethyl]-2-(3,4-dimethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 3719655

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-carbonyl)-1-benzyl-4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one?
The IUPAC name of 3-(1-benzofuran-2-carbonyl)-1-benzyl-4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one (CID 3321948) is 3-(1-benzofuran-2-carbonyl)-1-benzyl-4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one.
What is the SMILES notation for 3-(1-benzofuran-2-carbonyl)-1-benzyl-4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one?
The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-1-benzyl-4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one is COc1cc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C.
What is the InChIKey of 3-(1-benzofuran-2-carbonyl)-1-benzyl-4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one?
The InChIKey is FUYFLZLJOMKXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31NO6/c1-20(2)15-16-38-25-14-13-23(18-26(25)37-3)29-28(30(34)27-17-22-11-7-8-12-24(22)39-27)31(35)32(36)33(29)19-21-9-5-4-6-10-21/h4-14,17-18,20,29,35H,15-16,19H2,1-3H3.
What are the key properties of 3-(1-benzofuran-2-carbonyl)-1-benzyl-4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one?
3-(1-benzofuran-2-carbonyl)-1-benzyl-4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one has a molecular weight of 525.60 g/mol, XLogP of 6.64, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-carbonyl)-1-benzyl-4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one is sourced from PubChem (CID 3321948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).