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

C32H40N2O6 — CID 3324347

IUPAC3-(1-benzofuran-2-carbonyl)-1-[3-(diethylamino)propyl]-4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one
SMILESCCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)C1c1ccc(OCCC(C)C)c(OC)c1
InChIInChI=1S/C32H40N2O6/c1-6-33(7-2)16-10-17-34-29(23-13-14-25(26(20-23)38-5)39-18-15-21(3)4)28(31(36)32(34)37)30(35)27-19-22-11-8-9-12-24(22)40-27/h8-9,11-14,19-21,29,36H,6-7,10,15-18H2,1-5H3
InChIKeyVOPKSJMNAGQRCC-UHFFFAOYSA-N
MW548.68 g/mol
LogP6.18
Rot. Bonds14

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

3-(1-benzofuran-2-carbonyl)-1-[3-(diethylamino)propyl]-4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one (PubChem CID 3324347) has the molecular formula C32H40N2O6 and a molecular weight of 548.68 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-1-[3-(diethylamino)propyl]-4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(1-benzofuran-2-carbonyl)-1-[3-(diethylamino)propyl]-4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one
PubChem CID3324347
Molecular FormulaC32H40N2O6
Molecular Weight548.68 g/mol
Exact Mass548.29
IUPAC Name3-(1-benzofuran-2-carbonyl)-1-[3-(diethylamino)propyl]-4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one
SMILESCCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)C1c1ccc(OCCC(C)C)c(OC)c1
InChIInChI=1S/C32H40N2O6/c1-6-33(7-2)16-10-17-34-29(23-13-14-25(26(20-23)38-5)39-18-15-21(3)4)28(31(36)32(34)37)30(35)27-19-22-11-8-9-12-24(22)40-27/h8-9,11-14,19-21,29,36H,6-7,10,15-18H2,1-5H3
InChIKeyVOPKSJMNAGQRCC-UHFFFAOYSA-N
XLogP6.18
TPSA92.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.68
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-(diethylamino)propyl]-2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one
CID 4730177
3-(1-benzofuran-2-carbonyl)-1-[2-(diethylamino)ethyl]-2-(3,4-dimethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 3719655
3-(1-benzofuran-2-carbonyl)-1-benzyl-4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one
CID 3321948
3-(1-benzofuran-2-carbonyl)-1-[3-(diethylamino)propyl]-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 3324353
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-methoxy-4-pentoxyphenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one
CID 4582816
(2R)-3-(1-benzofuran-2-carbonyl)-1-[3-(diethylamino)propyl]-2-(2,5-dimethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 28664673
1-[3-(diethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxy-4-propoxyphenyl)-2H-pyrrol-5-one
CID 3440067
3-(1-benzofuran-2-carbonyl)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-[2-(diethylamino)ethyl]-4-hydroxy-2H-pyrrol-5-one
CID 5187315
(2S)-3-(1-benzofuran-2-carbonyl)-2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 1033534
3-(1-benzofuran-2-carbonyl)-2-(4-butoxy-3-methoxyphenyl)-4-hydroxy-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 3272035
1-[2-(diethylamino)ethyl]-2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 3402563
1-benzyl-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one
CID 4861962

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-carbonyl)-1-[3-(diethylamino)propyl]-4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one?
The IUPAC name of 3-(1-benzofuran-2-carbonyl)-1-[3-(diethylamino)propyl]-4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one (CID 3324347) is 3-(1-benzofuran-2-carbonyl)-1-[3-(diethylamino)propyl]-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-[3-(diethylamino)propyl]-4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one?
The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-1-[3-(diethylamino)propyl]-4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one is CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)C1c1ccc(OCCC(C)C)c(OC)c1.
What is the InChIKey of 3-(1-benzofuran-2-carbonyl)-1-[3-(diethylamino)propyl]-4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one?
The InChIKey is VOPKSJMNAGQRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N2O6/c1-6-33(7-2)16-10-17-34-29(23-13-14-25(26(20-23)38-5)39-18-15-21(3)4)28(31(36)32(34)37)30(35)27-19-22-11-8-9-12-24(22)40-27/h8-9,11-14,19-21,29,36H,6-7,10,15-18H2,1-5H3.
What are the key properties of 3-(1-benzofuran-2-carbonyl)-1-[3-(diethylamino)propyl]-4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one?
3-(1-benzofuran-2-carbonyl)-1-[3-(diethylamino)propyl]-4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one has a molecular weight of 548.68 g/mol, XLogP of 6.18, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-carbonyl)-1-[3-(diethylamino)propyl]-4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one is sourced from PubChem (CID 3324347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).