[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate

C25H24N2O6 — CID 42922292

IUPAC[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
SMILESCOc1ccc(NC(=O)C(OC(=O)C2CCCN2C(=O)c2ccco2)c2ccccc2)cc1
InChIInChI=1S/C25H24N2O6/c1-31-19-13-11-18(12-14-19)26-23(28)22(17-7-3-2-4-8-17)33-25(30)20-9-5-15-27(20)24(29)21-10-6-16-32-21/h2-4,6-8,10-14,16,20,22H,5,9,15H2,1H3,(H,26,28)
InChIKeyHJIZMJIHDDASHE-UHFFFAOYSA-N
MW448.48 g/mol
LogP3.82
Rot. Bonds7

About [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate

[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 42922292) has the molecular formula C25H24N2O6 and a molecular weight of 448.48 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
PubChem CID42922292
Molecular FormulaC25H24N2O6
Molecular Weight448.48 g/mol
Exact Mass448.16
IUPAC Name[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
SMILESCOc1ccc(NC(=O)C(OC(=O)C2CCCN2C(=O)c2ccco2)c2ccccc2)cc1
InChIInChI=1S/C25H24N2O6/c1-31-19-13-11-18(12-14-19)26-23(28)22(17-7-3-2-4-8-17)33-25(30)20-9-5-15-27(20)24(29)21-10-6-16-32-21/h2-4,6-8,10-14,16,20,22H,5,9,15H2,1H3,(H,26,28)
InChIKeyHJIZMJIHDDASHE-UHFFFAOYSA-N
XLogP3.82
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(furan-2-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 50875716
1-(furan-2-carbonyl)-N-[4-(2-methoxyphenoxy)phenyl]pyrrolidine-2-carboxamide
CID 42923415
1-(furan-2-carbonyl)-N-[4-(4-methylphenoxy)phenyl]pyrrolidine-2-carboxamide
CID 24658906
1-(furan-2-carbonyl)-N-[4-(2-methoxyethoxy)phenyl]pyrrolidine-2-carboxamide
CID 55675227
[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] (2S)-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylate
CID 95784052
1-(furan-2-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]pyrrolidine-2-carboxamide
CID 75195661
(2S)-1-benzoyl-N-[(1S)-2-(4-methoxyanilino)-1-(4-methoxyphenyl)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 162739482
[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 46609824
(2S)-1-(furan-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 46420968
(6-methoxynaphthalen-2-yl)methyl 1-(furan-2-carbonyl)piperidine-2-carboxylate
CID 60554533
tert-butyl (2R)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 81002523
benzyl (2S)-2-[[(1R)-2-(4-methoxyanilino)-2-oxo-1-phenylethyl]-methylcarbamoyl]pyrrolidine-1-carboxylate
CID 92653637

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate (CID 42922292) is [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate is COc1ccc(NC(=O)C(OC(=O)C2CCCN2C(=O)c2ccco2)c2ccccc2)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is HJIZMJIHDDASHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O6/c1-31-19-13-11-18(12-14-19)26-23(28)22(17-7-3-2-4-8-17)33-25(30)20-9-5-15-27(20)24(29)21-10-6-16-32-21/h2-4,6-8,10-14,16,20,22H,5,9,15H2,1H3,(H,26,28).
What are the key properties of [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate?
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 448.48 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 42922292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).