[(1R)-1-(furan-2-yl)ethyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium

C15H19N2O3+ — CID 8918132

IUPAC[(1R)-1-(furan-2-yl)ethyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium
SMILESCOc1ccc(NC(=O)C[NH2+][C@H](C)c2ccco2)cc1
InChIInChI=1S/C15H18N2O3/c1-11(14-4-3-9-20-14)16-10-15(18)17-12-5-7-13(19-2)8-6-12/h3-9,11,16H,10H2,1-2H3,(H,17,18)/p+1/t11-/m1/s1
InChIKeyYDHMMWJDMJTHJX-LLVKDONJSA-O
MW275.33 g/mol
LogP1.55
Rot. Bonds6

About [(1R)-1-(furan-2-yl)ethyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium

[(1R)-1-(furan-2-yl)ethyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium (PubChem CID 8918132) has the molecular formula C15H19N2O3+ and a molecular weight of 275.33 g/mol. Its IUPAC name is [(1R)-1-(furan-2-yl)ethyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(furan-2-yl)ethyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium
PubChem CID8918132
Molecular FormulaC15H19N2O3+
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name[(1R)-1-(furan-2-yl)ethyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium
SMILESCOc1ccc(NC(=O)C[NH2+][C@H](C)c2ccco2)cc1
InChIInChI=1S/C15H18N2O3/c1-11(14-4-3-9-20-14)16-10-15(18)17-12-5-7-13(19-2)8-6-12/h3-9,11,16H,10H2,1-2H3,(H,17,18)/p+1/t11-/m1/s1
InChIKeyYDHMMWJDMJTHJX-LLVKDONJSA-O
XLogP1.55
TPSA68.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8918463
[2-(4-fluoroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8917793
[2-(4-ethylanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8917889
[2-(4-carbamoylanilino)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8918378
[(1R)-1-(furan-2-yl)ethyl]-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8922088
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8919420
[2-(3-bromo-4-methylanilino)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8920588
[2-(3-chloroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8917842
[2-(3-fluoroanilino)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8919141
[(1R)-1-(furan-2-yl)ethyl]-[2-(3-iodoanilino)-2-oxoethyl]azanium
CID 8919274
[(1S)-1-(furan-2-yl)ethyl]-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium
CID 8917988
[(1R)-1-(furan-2-yl)ethyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8922277

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(furan-2-yl)ethyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium?
The IUPAC name of [(1R)-1-(furan-2-yl)ethyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium (CID 8918132) is [(1R)-1-(furan-2-yl)ethyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium.
What is the SMILES notation for [(1R)-1-(furan-2-yl)ethyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium?
The canonical SMILES for [(1R)-1-(furan-2-yl)ethyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium is COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccco2)cc1.
What is the InChIKey of [(1R)-1-(furan-2-yl)ethyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium?
The InChIKey is YDHMMWJDMJTHJX-LLVKDONJSA-O. The full InChI is InChI=1S/C15H18N2O3/c1-11(14-4-3-9-20-14)16-10-15(18)17-12-5-7-13(19-2)8-6-12/h3-9,11,16H,10H2,1-2H3,(H,17,18)/p+1/t11-/m1/s1.
What are the key properties of [(1R)-1-(furan-2-yl)ethyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium?
[(1R)-1-(furan-2-yl)ethyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium has a molecular weight of 275.33 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(furan-2-yl)ethyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 8918132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).