1-benzyl-5-(3-ethoxyphenyl)-4-(5-methylfuran-2-carbonyl)pyrrolidine-2,3-dione

C25H23NO5 — CID 91897207

IUPAC1-benzyl-5-(3-ethoxyphenyl)-4-(5-methylfuran-2-carbonyl)pyrrolidine-2,3-dione
SMILESCCOc1cccc(C2C(C(=O)c3ccc(C)o3)C(=O)C(=O)N2Cc2ccccc2)c1
InChIInChI=1S/C25H23NO5/c1-3-30-19-11-7-10-18(14-19)22-21(23(27)20-13-12-16(2)31-20)24(28)25(29)26(22)15-17-8-5-4-6-9-17/h4-14,21-22H,3,15H2,1-2H3
InChIKeyQCPLWGGHUXKTRA-UHFFFAOYSA-N
MW417.46 g/mol
LogP4.14
Rot. Bonds7

About 1-benzyl-5-(3-ethoxyphenyl)-4-(5-methylfuran-2-carbonyl)pyrrolidine-2,3-dione

1-benzyl-5-(3-ethoxyphenyl)-4-(5-methylfuran-2-carbonyl)pyrrolidine-2,3-dione (PubChem CID 91897207) has the molecular formula C25H23NO5 and a molecular weight of 417.46 g/mol. Its IUPAC name is 1-benzyl-5-(3-ethoxyphenyl)-4-(5-methylfuran-2-carbonyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name1-benzyl-5-(3-ethoxyphenyl)-4-(5-methylfuran-2-carbonyl)pyrrolidine-2,3-dione
PubChem CID91897207
Molecular FormulaC25H23NO5
Molecular Weight417.46 g/mol
Exact Mass417.16
IUPAC Name1-benzyl-5-(3-ethoxyphenyl)-4-(5-methylfuran-2-carbonyl)pyrrolidine-2,3-dione
SMILESCCOc1cccc(C2C(C(=O)c3ccc(C)o3)C(=O)C(=O)N2Cc2ccccc2)c1
InChIInChI=1S/C25H23NO5/c1-3-30-19-11-7-10-18(14-19)22-21(23(27)20-13-12-16(2)31-20)24(28)25(29)26(22)15-17-8-5-4-6-9-17/h4-14,21-22H,3,15H2,1-2H3
InChIKeyQCPLWGGHUXKTRA-UHFFFAOYSA-N
XLogP4.14
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-benzyl-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-phenylmethoxyphenyl)-2H-pyrrol-5-one
CID 27304529
5-(3-butoxyphenyl)-1-(pyridin-3-ylmethyl)-4-(thiophene-2-carbonyl)pyrrolidine-2,3-dione
CID 91897538
1-benzyl-4-hydroxy-2-[3-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 3425459
3-benzyl-2-(3-ethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54779605
2-(3-ethoxyphenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 3421860
2-benzyl-3-(4-ethoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
CID 22334809
(2R)-1-[2-(dimethylamino)ethyl]-2-(3-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 7274659
5-(3-ethoxy-4-hydroxyphenyl)-4-(4-methoxy-2-methylbenzoyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
CID 4757900
(3-ethoxyphenyl)-(5-methylfuran-2-yl)methanone
CID 115791255
(4Z)-4-[(3-ethoxyphenyl)-hydroxymethylidene]-1-[(4-ethoxyphenyl)methyl]-5-phenylpyrrolidine-2,3-dione
CID 108599544
(2R)-1-[3-(dibutylamino)propyl]-2-(3-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 27305570
(2S)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-propoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 27305294

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(3-ethoxyphenyl)-4-(5-methylfuran-2-carbonyl)pyrrolidine-2,3-dione?
The IUPAC name of 1-benzyl-5-(3-ethoxyphenyl)-4-(5-methylfuran-2-carbonyl)pyrrolidine-2,3-dione (CID 91897207) is 1-benzyl-5-(3-ethoxyphenyl)-4-(5-methylfuran-2-carbonyl)pyrrolidine-2,3-dione.
What is the SMILES notation for 1-benzyl-5-(3-ethoxyphenyl)-4-(5-methylfuran-2-carbonyl)pyrrolidine-2,3-dione?
The canonical SMILES for 1-benzyl-5-(3-ethoxyphenyl)-4-(5-methylfuran-2-carbonyl)pyrrolidine-2,3-dione is CCOc1cccc(C2C(C(=O)c3ccc(C)o3)C(=O)C(=O)N2Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-5-(3-ethoxyphenyl)-4-(5-methylfuran-2-carbonyl)pyrrolidine-2,3-dione?
The InChIKey is QCPLWGGHUXKTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO5/c1-3-30-19-11-7-10-18(14-19)22-21(23(27)20-13-12-16(2)31-20)24(28)25(29)26(22)15-17-8-5-4-6-9-17/h4-14,21-22H,3,15H2,1-2H3.
What are the key properties of 1-benzyl-5-(3-ethoxyphenyl)-4-(5-methylfuran-2-carbonyl)pyrrolidine-2,3-dione?
1-benzyl-5-(3-ethoxyphenyl)-4-(5-methylfuran-2-carbonyl)pyrrolidine-2,3-dione has a molecular weight of 417.46 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(3-ethoxyphenyl)-4-(5-methylfuran-2-carbonyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 91897207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).