(2R)-2-(4-butoxy-3-methoxyphenyl)-3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one

C25H25NO7 — CID 27308311

IUPAC(2R)-2-(4-butoxy-3-methoxyphenyl)-3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCCCCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccco2)cc1OC
InChIInChI=1S/C25H25NO7/c1-3-4-11-32-18-10-9-16(14-20(18)30-2)22-21(23(27)19-8-6-13-33-19)24(28)25(29)26(22)15-17-7-5-12-31-17/h5-10,12-14,22,28H,3-4,11,15H2,1-2H3/t22-/m1/s1
InChIKeyVZMROGVHSMXOBB-JOCHJYFZSA-N
MW451.48 g/mol
LogP4.84
Rot. Bonds10

About (2R)-2-(4-butoxy-3-methoxyphenyl)-3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one

(2R)-2-(4-butoxy-3-methoxyphenyl)-3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one (PubChem CID 27308311) has the molecular formula C25H25NO7 and a molecular weight of 451.48 g/mol. Its IUPAC name is (2R)-2-(4-butoxy-3-methoxyphenyl)-3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-2-(4-butoxy-3-methoxyphenyl)-3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one
PubChem CID27308311
Molecular FormulaC25H25NO7
Molecular Weight451.48 g/mol
Exact Mass451.16
IUPAC Name(2R)-2-(4-butoxy-3-methoxyphenyl)-3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCCCCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccco2)cc1OC
InChIInChI=1S/C25H25NO7/c1-3-4-11-32-18-10-9-16(14-20(18)30-2)22-21(23(27)19-8-6-13-33-19)24(28)25(29)26(22)15-17-7-5-12-31-17/h5-10,12-14,22,28H,3-4,11,15H2,1-2H3/t22-/m1/s1
InChIKeyVZMROGVHSMXOBB-JOCHJYFZSA-N
XLogP4.84
TPSA102.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-butoxy-3-methoxyphenyl)-3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of (2R)-2-(4-butoxy-3-methoxyphenyl)-3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one (CID 27308311) is (2R)-2-(4-butoxy-3-methoxyphenyl)-3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-2-(4-butoxy-3-methoxyphenyl)-3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for (2R)-2-(4-butoxy-3-methoxyphenyl)-3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one is CCCCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccco2)cc1OC.
What is the InChIKey of (2R)-2-(4-butoxy-3-methoxyphenyl)-3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is VZMROGVHSMXOBB-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H25NO7/c1-3-4-11-32-18-10-9-16(14-20(18)30-2)22-21(23(27)19-8-6-13-33-19)24(28)25(29)26(22)15-17-7-5-12-31-17/h5-10,12-14,22,28H,3-4,11,15H2,1-2H3/t22-/m1/s1.
What are the key properties of (2R)-2-(4-butoxy-3-methoxyphenyl)-3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one?
(2R)-2-(4-butoxy-3-methoxyphenyl)-3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 451.48 g/mol, XLogP of 4.84, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-butoxy-3-methoxyphenyl)-3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 27308311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).