[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium

C18H23N2O2+ — CID 9039691

IUPAC[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
SMILESCc1ccc(C[NH+](C)[C@@H](C(=O)NC2CC2)c2ccccc2)o1
InChIInChI=1S/C18H22N2O2/c1-13-8-11-16(22-13)12-20(2)17(14-6-4-3-5-7-14)18(21)19-15-9-10-15/h3-8,11,15,17H,9-10,12H2,1-2H3,(H,19,21)/p+1/t17-/m1/s1
InChIKeyRWCJKUCZBOIJOD-QGZVFWFLSA-O
MW299.39 g/mol
LogP1.62
Rot. Bonds6

About [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium

[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium (PubChem CID 9039691) has the molecular formula C18H23N2O2+ and a molecular weight of 299.39 g/mol. Its IUPAC name is [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium.

Molecular Properties

Compound Name[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
PubChem CID9039691
Molecular FormulaC18H23N2O2+
Molecular Weight299.39 g/mol
Exact Mass299.18
IUPAC Name[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
SMILESCc1ccc(C[NH+](C)[C@@H](C(=O)NC2CC2)c2ccccc2)o1
InChIInChI=1S/C18H22N2O2/c1-13-8-11-16(22-13)12-20(2)17(14-6-4-3-5-7-14)18(21)19-15-9-10-15/h3-8,11,15,17H,9-10,12H2,1-2H3,(H,19,21)/p+1/t17-/m1/s1
InChIKeyRWCJKUCZBOIJOD-QGZVFWFLSA-O
XLogP1.62
TPSA46.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium with MolForge

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Related Compounds

methyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-[(5-methylfuran-2-yl)methyl]azanium
CID 8810227
benzyl-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-methylazanium
CID 4198096
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9040937
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium
CID 9053196
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 5-methylfuran-2-carboxylate
CID 46824904
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 9044129
[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[[5-(4-chlorophenyl)furan-2-yl]methyl]-methylazanium
CID 9208318
[(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
CID 9053034
[(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
CID 9053407
(2R)-2-amino-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-phenylacetamide
CID 61162622
4-[[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61199226
N-(4-aminocyclohexyl)-3-methyl-2-phenylbutanamide;hydrochloride
CID 119474856

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium?
The IUPAC name of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium (CID 9039691) is [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium.
What is the SMILES notation for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium?
The canonical SMILES for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium is Cc1ccc(C[NH+](C)[C@@H](C(=O)NC2CC2)c2ccccc2)o1.
What is the InChIKey of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium?
The InChIKey is RWCJKUCZBOIJOD-QGZVFWFLSA-O. The full InChI is InChI=1S/C18H22N2O2/c1-13-8-11-16(22-13)12-20(2)17(14-6-4-3-5-7-14)18(21)19-15-9-10-15/h3-8,11,15,17H,9-10,12H2,1-2H3,(H,19,21)/p+1/t17-/m1/s1.
What are the key properties of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium?
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium has a molecular weight of 299.39 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium is sourced from PubChem (CID 9039691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).