[2-(2,5-dimethoxyanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate

C20H24N2O7 — CID 7565992

IUPAC[2-(2,5-dimethoxyanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
SMILESCOc1ccc(OC)c(NC(=O)COC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)c1
InChIInChI=1S/C20H24N2O7/c1-12(2)18(22-19(24)16-6-5-9-28-16)20(25)29-11-17(23)21-14-10-13(26-3)7-8-15(14)27-4/h5-10,12,18H,11H2,1-4H3,(H,21,23)(H,22,24)/t18-/m0/s1
InChIKeyFVZFRFBVPGONPV-SFHVURJKSA-N
MW404.42 g/mol
LogP2.23
Rot. Bonds9

About [2-(2,5-dimethoxyanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate

[2-(2,5-dimethoxyanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate (PubChem CID 7565992) has the molecular formula C20H24N2O7 and a molecular weight of 404.42 g/mol. Its IUPAC name is [2-(2,5-dimethoxyanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate.

Molecular Properties

Compound Name[2-(2,5-dimethoxyanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
PubChem CID7565992
Molecular FormulaC20H24N2O7
Molecular Weight404.42 g/mol
Exact Mass404.16
IUPAC Name[2-(2,5-dimethoxyanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
SMILESCOc1ccc(OC)c(NC(=O)COC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)c1
InChIInChI=1S/C20H24N2O7/c1-12(2)18(22-19(24)16-6-5-9-28-16)20(25)29-11-17(23)21-14-10-13(26-3)7-8-15(14)27-4/h5-10,12,18H,11H2,1-4H3,(H,21,23)(H,22,24)/t18-/m0/s1
InChIKeyFVZFRFBVPGONPV-SFHVURJKSA-N
XLogP2.23
TPSA116.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-(2,5-dimethoxyanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate with MolForge

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Related Compounds

[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575597
(2-anilino-2-oxoethyl) (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 7565951
N-[(2S)-1-(2,4-dimethoxyanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 7611817
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate
CID 55306477
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 2448157
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 7566168
[2-(4-chloroanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575614
[2-(2,6-dichloroanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575621
[2-(4-acetylanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575628
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8576003
[2-(tert-butylcarbamoylamino)-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 2470214
[2-oxo-2-(propylcarbamoylamino)ethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 7566578

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate?
The IUPAC name of [2-(2,5-dimethoxyanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate (CID 7565992) is [2-(2,5-dimethoxyanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate.
What is the SMILES notation for [2-(2,5-dimethoxyanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate?
The canonical SMILES for [2-(2,5-dimethoxyanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate is COc1ccc(OC)c(NC(=O)COC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)c1.
What is the InChIKey of [2-(2,5-dimethoxyanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate?
The InChIKey is FVZFRFBVPGONPV-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N2O7/c1-12(2)18(22-19(24)16-6-5-9-28-16)20(25)29-11-17(23)21-14-10-13(26-3)7-8-15(14)27-4/h5-10,12,18H,11H2,1-4H3,(H,21,23)(H,22,24)/t18-/m0/s1.
What are the key properties of [2-(2,5-dimethoxyanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate?
[2-(2,5-dimethoxyanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate has a molecular weight of 404.42 g/mol, XLogP of 2.23, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate is sourced from PubChem (CID 7565992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).