[2-(2,5-dimethoxyanilino)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium

C21H23N2O4+ — CID 8695957

IUPAC[2-(2,5-dimethoxyanilino)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
SMILESCOc1ccc(OC)c(NC(=O)C[NH2+][C@H](c2ccccc2)c2ccco2)c1
InChIInChI=1S/C21H22N2O4/c1-25-16-10-11-18(26-2)17(13-16)23-20(24)14-22-21(19-9-6-12-27-19)15-7-4-3-5-8-15/h3-13,21-22H,14H2,1-2H3,(H,23,24)/p+1/t21-/m1/s1
InChIKeyCAEJGHLZNCILBA-OAQYLSRUSA-O
MW367.43 g/mol
LogP2.59
Rot. Bonds8

About [2-(2,5-dimethoxyanilino)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium

[2-(2,5-dimethoxyanilino)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium (PubChem CID 8695957) has the molecular formula C21H23N2O4+ and a molecular weight of 367.43 g/mol. Its IUPAC name is [2-(2,5-dimethoxyanilino)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium.

Molecular Properties

Compound Name[2-(2,5-dimethoxyanilino)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
PubChem CID8695957
Molecular FormulaC21H23N2O4+
Molecular Weight367.43 g/mol
Exact Mass367.17
IUPAC Name[2-(2,5-dimethoxyanilino)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
SMILESCOc1ccc(OC)c(NC(=O)C[NH2+][C@H](c2ccccc2)c2ccco2)c1
InChIInChI=1S/C21H22N2O4/c1-25-16-10-11-18(26-2)17(13-16)23-20(24)14-22-21(19-9-6-12-27-19)15-7-4-3-5-8-15/h3-13,21-22H,14H2,1-2H3,(H,23,24)/p+1/t21-/m1/s1
InChIKeyCAEJGHLZNCILBA-OAQYLSRUSA-O
XLogP2.59
TPSA77.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(R)-furan-2-yl(phenyl)methyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 8695941
[(1S)-1-(furan-2-yl)ethyl]-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium
CID 8917988
[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 8755105
3-amino-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide
CID 43822665
N-(2,5-dimethoxyphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131563
[2-(2,3-dichloroanilino)-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8696091
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,2-diphenylacetate
CID 4145246
[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8756043
benzhydryl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylazanium
CID 8730102
benzhydryl-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]azanium
CID 7999776
[(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium
CID 8755577

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyanilino)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium?
The IUPAC name of [2-(2,5-dimethoxyanilino)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium (CID 8695957) is [2-(2,5-dimethoxyanilino)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium.
What is the SMILES notation for [2-(2,5-dimethoxyanilino)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium?
The canonical SMILES for [2-(2,5-dimethoxyanilino)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium is COc1ccc(OC)c(NC(=O)C[NH2+][C@H](c2ccccc2)c2ccco2)c1.
What is the InChIKey of [2-(2,5-dimethoxyanilino)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium?
The InChIKey is CAEJGHLZNCILBA-OAQYLSRUSA-O. The full InChI is InChI=1S/C21H22N2O4/c1-25-16-10-11-18(26-2)17(13-16)23-20(24)14-22-21(19-9-6-12-27-19)15-7-4-3-5-8-15/h3-13,21-22H,14H2,1-2H3,(H,23,24)/p+1/t21-/m1/s1.
What are the key properties of [2-(2,5-dimethoxyanilino)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium?
[2-(2,5-dimethoxyanilino)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium has a molecular weight of 367.43 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyanilino)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium is sourced from PubChem (CID 8695957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).