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

C17H22N3O3+ — CID 8810227

IUPACmethyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-[(5-methylfuran-2-yl)methyl]azanium
SMILESCNC(=O)NC(=O)[C@@H](c1ccccc1)[NH+](C)Cc1ccc(C)o1
InChIInChI=1S/C17H21N3O3/c1-12-9-10-14(23-12)11-20(3)15(13-7-5-4-6-8-13)16(21)19-17(22)18-2/h4-10,15H,11H2,1-3H3,(H2,18,19,21,22)/p+1/t15-/m1/s1
InChIKeyOJIZNKWQBBDQQR-OAHLLOKOSA-O
MW316.38 g/mol
LogP0.80
Rot. Bonds5

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

methyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-[(5-methylfuran-2-yl)methyl]azanium (PubChem CID 8810227) has the molecular formula C17H22N3O3+ and a molecular weight of 316.38 g/mol. Its IUPAC name is methyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-[(5-methylfuran-2-yl)methyl]azanium.

Molecular Properties

Compound Namemethyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-[(5-methylfuran-2-yl)methyl]azanium
PubChem CID8810227
Molecular FormulaC17H22N3O3+
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Namemethyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-[(5-methylfuran-2-yl)methyl]azanium
SMILESCNC(=O)NC(=O)[C@@H](c1ccccc1)[NH+](C)Cc1ccc(C)o1
InChIInChI=1S/C17H21N3O3/c1-12-9-10-14(23-12)11-20(3)15(13-7-5-4-6-8-13)16(21)19-17(22)18-2/h4-10,15H,11H2,1-3H3,(H2,18,19,21,22)/p+1/t15-/m1/s1
InChIKeyOJIZNKWQBBDQQR-OAHLLOKOSA-O
XLogP0.80
TPSA75.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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Related Compounds

[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
CID 9039691
methyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium
CID 8517042
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium
CID 7509403
[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[[5-(4-chlorophenyl)furan-2-yl]methyl]-methylazanium
CID 9208318
[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methyl-[(2-methylphenyl)methyl]azanium
CID 8516766
(4-chlorophenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium
CID 8540301
benzhydryl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium
CID 8596066
(2R)-2-amino-N-[(5-methylfuran-2-yl)methyl]-2-phenylacetamide
CID 55081694
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetohydrazide
CID 63573476
(5-bromothiophen-2-yl)methyl-[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium
CID 8971597
[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium
CID 8787108
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
CID 8805644

Frequently Asked Questions

What is the IUPAC name of methyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-[(5-methylfuran-2-yl)methyl]azanium?
The IUPAC name of methyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-[(5-methylfuran-2-yl)methyl]azanium (CID 8810227) is methyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-[(5-methylfuran-2-yl)methyl]azanium.
What is the SMILES notation for methyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-[(5-methylfuran-2-yl)methyl]azanium?
The canonical SMILES for methyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-[(5-methylfuran-2-yl)methyl]azanium is CNC(=O)NC(=O)[C@@H](c1ccccc1)[NH+](C)Cc1ccc(C)o1.
What is the InChIKey of methyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-[(5-methylfuran-2-yl)methyl]azanium?
The InChIKey is OJIZNKWQBBDQQR-OAHLLOKOSA-O. The full InChI is InChI=1S/C17H21N3O3/c1-12-9-10-14(23-12)11-20(3)15(13-7-5-4-6-8-13)16(21)19-17(22)18-2/h4-10,15H,11H2,1-3H3,(H2,18,19,21,22)/p+1/t15-/m1/s1.
What are the key properties of methyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-[(5-methylfuran-2-yl)methyl]azanium?
methyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-[(5-methylfuran-2-yl)methyl]azanium has a molecular weight of 316.38 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-[(5-methylfuran-2-yl)methyl]azanium is sourced from PubChem (CID 8810227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).