furan-2-ylmethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium

C21H19N2O2+ — CID 9325925

IUPACfuran-2-ylmethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium
SMILESO=C(c1c[nH]c2ccccc12)[C@H]([NH2+]Cc1ccco1)c1ccccc1
InChIInChI=1S/C21H18N2O2/c24-21(18-14-22-19-11-5-4-10-17(18)19)20(15-7-2-1-3-8-15)23-13-16-9-6-12-25-16/h1-12,14,20,22-23H,13H2/p+1/t20-/m1/s1
InChIKeyFUZMQOKOFRJFEQ-HXUWFJFHSA-O
MW331.40 g/mol
LogP3.45
Rot. Bonds6

About furan-2-ylmethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium

furan-2-ylmethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium (PubChem CID 9325925) has the molecular formula C21H19N2O2+ and a molecular weight of 331.40 g/mol. Its IUPAC name is furan-2-ylmethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium.

Molecular Properties

Compound Namefuran-2-ylmethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium
PubChem CID9325925
Molecular FormulaC21H19N2O2+
Molecular Weight331.40 g/mol
Exact Mass331.14
IUPAC Namefuran-2-ylmethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium
SMILESO=C(c1c[nH]c2ccccc12)[C@H]([NH2+]Cc1ccco1)c1ccccc1
InChIInChI=1S/C21H18N2O2/c24-21(18-14-22-19-11-5-4-10-17(18)19)20(15-7-2-1-3-8-15)23-13-16-9-6-12-25-16/h1-12,14,20,22-23H,13H2/p+1/t20-/m1/s1
InChIKeyFUZMQOKOFRJFEQ-HXUWFJFHSA-O
XLogP3.45
TPSA62.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S)-1-(furan-2-yl)ethyl]-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium
CID 9441387
2-acetamidoethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium
CID 9356616
[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)azanium
CID 7986750
(2S)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 9441385
N-[1-(furan-2-yl)propan-2-yl]-1H-indole-3-carboxamide
CID 61043525
(2R)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-(1H-indol-3-yl)propan-1-one
CID 99802307
2-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-(1H-indol-3-yl)propan-1-one
CID 51281818
2-[[4-(furan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-indol-3-yl)-2-phenylethanone
CID 24579103
furan-2-ylmethyl(1H-indol-3-ylmethyl)azanium
CID 7018698
2-amino-2-hydroxy-1-(1H-indol-3-yl)ethanone
CID 147638405
(2R)-1-(1H-indol-3-yl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylethanone
CID 9356699
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
CID 8810245

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium?
The IUPAC name of furan-2-ylmethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium (CID 9325925) is furan-2-ylmethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium.
What is the SMILES notation for furan-2-ylmethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium?
The canonical SMILES for furan-2-ylmethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium is O=C(c1c[nH]c2ccccc12)[C@H]([NH2+]Cc1ccco1)c1ccccc1.
What is the InChIKey of furan-2-ylmethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium?
The InChIKey is FUZMQOKOFRJFEQ-HXUWFJFHSA-O. The full InChI is InChI=1S/C21H18N2O2/c24-21(18-14-22-19-11-5-4-10-17(18)19)20(15-7-2-1-3-8-15)23-13-16-9-6-12-25-16/h1-12,14,20,22-23H,13H2/p+1/t20-/m1/s1.
What are the key properties of furan-2-ylmethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium?
furan-2-ylmethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium has a molecular weight of 331.40 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium is sourced from PubChem (CID 9325925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).