[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium

C22H23N2O2+ — CID 8756137

IUPAC[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
SMILESO=C(NC1CC1)[C@H]([NH2+][C@H](c1ccccc1)c1ccco1)c1ccccc1
InChIInChI=1S/C22H22N2O2/c25-22(23-18-13-14-18)21(17-10-5-2-6-11-17)24-20(19-12-7-15-26-19)16-8-3-1-4-9-16/h1-12,15,18,20-21,24H,13-14H2,(H,23,25)/p+1/t20-,21-/m1/s1
InChIKeyZDKDGKYFCXLKJX-NHCUHLMSSA-O
MW347.44 g/mol
LogP2.95
Rot. Bonds7

About [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium

[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium (PubChem CID 8756137) has the molecular formula C22H23N2O2+ and a molecular weight of 347.44 g/mol. Its IUPAC name is [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium.

Molecular Properties

Compound Name[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
PubChem CID8756137
Molecular FormulaC22H23N2O2+
Molecular Weight347.44 g/mol
Exact Mass347.18
IUPAC Name[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
SMILESO=C(NC1CC1)[C@H]([NH2+][C@H](c1ccccc1)c1ccco1)c1ccccc1
InChIInChI=1S/C22H22N2O2/c25-22(23-18-13-14-18)21(17-10-5-2-6-11-17)24-20(19-12-7-15-26-19)16-8-3-1-4-9-16/h1-12,15,18,20-21,24H,13-14H2,(H,23,25)/p+1/t20-,21-/m1/s1
InChIKeyZDKDGKYFCXLKJX-NHCUHLMSSA-O
XLogP2.95
TPSA58.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8755427
(2S)-N-cyclopropyl-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide
CID 8756132
[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755215
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
CID 9052568
2-amino-N-cyclopropyl-2-(furan-2-yl)acetamide
CID 83529933
2-amino-N-cyclopropyl-2-(furan-2-yl)acetamide;hydrochloride
CID 130608029
[(2R)-1-amino-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8755615
[(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium
CID 8756395
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium
CID 8923718
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8696221
[(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium
CID 8755387
[(S)-furan-2-yl(phenyl)methyl]-[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium
CID 8755385

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium?
The IUPAC name of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium (CID 8756137) is [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium.
What is the SMILES notation for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium?
The canonical SMILES for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium is O=C(NC1CC1)[C@H]([NH2+][C@H](c1ccccc1)c1ccco1)c1ccccc1.
What is the InChIKey of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium?
The InChIKey is ZDKDGKYFCXLKJX-NHCUHLMSSA-O. The full InChI is InChI=1S/C22H22N2O2/c25-22(23-18-13-14-18)21(17-10-5-2-6-11-17)24-20(19-12-7-15-26-19)16-8-3-1-4-9-16/h1-12,15,18,20-21,24H,13-14H2,(H,23,25)/p+1/t20-,21-/m1/s1.
What are the key properties of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium?
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium has a molecular weight of 347.44 g/mol, XLogP of 2.95, 7 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]-[(R)-furan-2-yl(phenyl)methyl]azanium is sourced from PubChem (CID 8756137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).