[(2S)-1-anilino-1-oxopropan-2-yl]-(furan-2-ylmethyl)-methylazanium

C15H19N2O2+ — CID 9332217

IUPAC[(2S)-1-anilino-1-oxopropan-2-yl]-(furan-2-ylmethyl)-methylazanium
SMILESC[C@@H](C(=O)Nc1ccccc1)[NH+](C)Cc1ccco1
InChIInChI=1S/C15H18N2O2/c1-12(17(2)11-14-9-6-10-19-14)15(18)16-13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3,(H,16,18)/p+1/t12-/m0/s1
InChIKeyMRBGBHIJNQNHRU-LBPRGKRZSA-O
MW259.33 g/mol
LogP1.32
Rot. Bonds5

About [(2S)-1-anilino-1-oxopropan-2-yl]-(furan-2-ylmethyl)-methylazanium

[(2S)-1-anilino-1-oxopropan-2-yl]-(furan-2-ylmethyl)-methylazanium (PubChem CID 9332217) has the molecular formula C15H19N2O2+ and a molecular weight of 259.33 g/mol. Its IUPAC name is [(2S)-1-anilino-1-oxopropan-2-yl]-(furan-2-ylmethyl)-methylazanium.

Molecular Properties

Compound Name[(2S)-1-anilino-1-oxopropan-2-yl]-(furan-2-ylmethyl)-methylazanium
PubChem CID9332217
Molecular FormulaC15H19N2O2+
Molecular Weight259.33 g/mol
Exact Mass259.14
IUPAC Name[(2S)-1-anilino-1-oxopropan-2-yl]-(furan-2-ylmethyl)-methylazanium
SMILESC[C@@H](C(=O)Nc1ccccc1)[NH+](C)Cc1ccco1
InChIInChI=1S/C15H18N2O2/c1-12(17(2)11-14-9-6-10-19-14)15(18)16-13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3,(H,16,18)/p+1/t12-/m0/s1
InChIKeyMRBGBHIJNQNHRU-LBPRGKRZSA-O
XLogP1.32
TPSA46.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-anilino-1-oxopropan-2-yl]-[(2-bromophenyl)methyl]-methylazanium
CID 8515511
2-(furan-2-ylmethylamino)-N-phenylpropanamide
CID 43083282
2-[2-(furan-2-yl)ethylamino]-N-phenylpropanamide
CID 60638620
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
CID 9102283
[(2S)-1-anilino-1-oxopropan-2-yl]-(1,3-benzodioxol-5-ylmethyl)-methylazanium
CID 8747771
benzyl-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]-methylazanium
CID 9274622
[(2S)-1-anilino-1-oxopropan-2-yl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
CID 8805602
benzyl-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-methylazanium
CID 9274599
1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)-3-phenylurea
CID 3244728
benzyl-[(2R)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl]-methylazanium
CID 9274685
N-[4-(furan-2-yl)butan-2-yl]-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 55364071
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium
CID 8517771

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-anilino-1-oxopropan-2-yl]-(furan-2-ylmethyl)-methylazanium?
The IUPAC name of [(2S)-1-anilino-1-oxopropan-2-yl]-(furan-2-ylmethyl)-methylazanium (CID 9332217) is [(2S)-1-anilino-1-oxopropan-2-yl]-(furan-2-ylmethyl)-methylazanium.
What is the SMILES notation for [(2S)-1-anilino-1-oxopropan-2-yl]-(furan-2-ylmethyl)-methylazanium?
The canonical SMILES for [(2S)-1-anilino-1-oxopropan-2-yl]-(furan-2-ylmethyl)-methylazanium is C[C@@H](C(=O)Nc1ccccc1)[NH+](C)Cc1ccco1.
What is the InChIKey of [(2S)-1-anilino-1-oxopropan-2-yl]-(furan-2-ylmethyl)-methylazanium?
The InChIKey is MRBGBHIJNQNHRU-LBPRGKRZSA-O. The full InChI is InChI=1S/C15H18N2O2/c1-12(17(2)11-14-9-6-10-19-14)15(18)16-13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3,(H,16,18)/p+1/t12-/m0/s1.
What are the key properties of [(2S)-1-anilino-1-oxopropan-2-yl]-(furan-2-ylmethyl)-methylazanium?
[(2S)-1-anilino-1-oxopropan-2-yl]-(furan-2-ylmethyl)-methylazanium has a molecular weight of 259.33 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-anilino-1-oxopropan-2-yl]-(furan-2-ylmethyl)-methylazanium is sourced from PubChem (CID 9332217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).