[(1R)-1-(furan-2-yl)ethyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium

C16H20N3O3+ — CID 8922277

IUPAC[(1R)-1-(furan-2-yl)ethyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
SMILESCNC(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2ccco2)c1
InChIInChI=1S/C16H19N3O3/c1-11(14-7-4-8-22-14)18-10-15(20)19-13-6-3-5-12(9-13)16(21)17-2/h3-9,11,18H,10H2,1-2H3,(H,17,21)(H,19,20)/p+1/t11-/m1/s1
InChIKeyLOQYLTSIBSBVGE-LLVKDONJSA-O
MW302.35 g/mol
LogP0.90
Rot. Bonds6

About [(1R)-1-(furan-2-yl)ethyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium

[(1R)-1-(furan-2-yl)ethyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium (PubChem CID 8922277) has the molecular formula C16H20N3O3+ and a molecular weight of 302.35 g/mol. Its IUPAC name is [(1R)-1-(furan-2-yl)ethyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(furan-2-yl)ethyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
PubChem CID8922277
Molecular FormulaC16H20N3O3+
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name[(1R)-1-(furan-2-yl)ethyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
SMILESCNC(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2ccco2)c1
InChIInChI=1S/C16H19N3O3/c1-11(14-7-4-8-22-14)18-10-15(20)19-13-6-3-5-12(9-13)16(21)17-2/h3-9,11,18H,10H2,1-2H3,(H,17,21)(H,19,20)/p+1/t11-/m1/s1
InChIKeyLOQYLTSIBSBVGE-LLVKDONJSA-O
XLogP0.90
TPSA87.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [(1R)-1-(furan-2-yl)ethyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium with MolForge

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Related Compounds

[(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-(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
[2-(4-carbamoylanilino)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8918378
[2-(3-bromo-4-methylanilino)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8920588
[2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8918463
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9133031
[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-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8919663
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 8641344

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(furan-2-yl)ethyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium?
The IUPAC name of [(1R)-1-(furan-2-yl)ethyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium (CID 8922277) is [(1R)-1-(furan-2-yl)ethyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium.
What is the SMILES notation for [(1R)-1-(furan-2-yl)ethyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium?
The canonical SMILES for [(1R)-1-(furan-2-yl)ethyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium is CNC(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2ccco2)c1.
What is the InChIKey of [(1R)-1-(furan-2-yl)ethyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium?
The InChIKey is LOQYLTSIBSBVGE-LLVKDONJSA-O. The full InChI is InChI=1S/C16H19N3O3/c1-11(14-7-4-8-22-14)18-10-15(20)19-13-6-3-5-12(9-13)16(21)17-2/h3-9,11,18H,10H2,1-2H3,(H,17,21)(H,19,20)/p+1/t11-/m1/s1.
What are the key properties of [(1R)-1-(furan-2-yl)ethyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium?
[(1R)-1-(furan-2-yl)ethyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium has a molecular weight of 302.35 g/mol, XLogP of 0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(furan-2-yl)ethyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium is sourced from PubChem (CID 8922277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).