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

C16H21N2O2+ — CID 8917889

IUPAC[2-(4-ethylanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
SMILESCCc1ccc(NC(=O)C[NH2+][C@H](C)c2ccco2)cc1
InChIInChI=1S/C16H20N2O2/c1-3-13-6-8-14(9-7-13)18-16(19)11-17-12(2)15-5-4-10-20-15/h4-10,12,17H,3,11H2,1-2H3,(H,18,19)/p+1/t12-/m1/s1
InChIKeyHBQWPFLLBGTDLC-GFCCVEGCSA-O
MW273.36 g/mol
LogP2.11
Rot. Bonds6

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

[2-(4-ethylanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium (PubChem CID 8917889) has the molecular formula C16H21N2O2+ and a molecular weight of 273.36 g/mol. Its IUPAC name is [2-(4-ethylanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium.

Molecular Properties

Compound Name[2-(4-ethylanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
PubChem CID8917889
Molecular FormulaC16H21N2O2+
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC Name[2-(4-ethylanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
SMILESCCc1ccc(NC(=O)C[NH2+][C@H](C)c2ccco2)cc1
InChIInChI=1S/C16H20N2O2/c1-3-13-6-8-14(9-7-13)18-16(19)11-17-12(2)15-5-4-10-20-15/h4-10,12,17H,3,11H2,1-2H3,(H,18,19)/p+1/t12-/m1/s1
InChIKeyHBQWPFLLBGTDLC-GFCCVEGCSA-O
XLogP2.11
TPSA58.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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
[(1R)-1-(furan-2-yl)ethyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium
CID 8918132
[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-(3-fluoroanilino)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8919141
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8919420
[(1R)-1-(2-chlorophenyl)ethyl]-[2-(4-ethylanilino)-2-oxoethyl]azanium
CID 9306915
[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
[(1R)-1-(furan-2-yl)ethyl]-[2-(3-iodoanilino)-2-oxoethyl]azanium
CID 8919274
[(1R)-1-(furan-2-yl)ethyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8922277

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium?
The IUPAC name of [2-(4-ethylanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium (CID 8917889) is [2-(4-ethylanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium.
What is the SMILES notation for [2-(4-ethylanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium?
The canonical SMILES for [2-(4-ethylanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium is CCc1ccc(NC(=O)C[NH2+][C@H](C)c2ccco2)cc1.
What is the InChIKey of [2-(4-ethylanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium?
The InChIKey is HBQWPFLLBGTDLC-GFCCVEGCSA-O. The full InChI is InChI=1S/C16H20N2O2/c1-3-13-6-8-14(9-7-13)18-16(19)11-17-12(2)15-5-4-10-20-15/h4-10,12,17H,3,11H2,1-2H3,(H,18,19)/p+1/t12-/m1/s1.
What are the key properties of [2-(4-ethylanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium?
[2-(4-ethylanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium has a molecular weight of 273.36 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium is sourced from PubChem (CID 8917889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).