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

C22H21N2O2+ — CID 9441387

IUPAC[(1S)-1-(furan-2-yl)ethyl]-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium
SMILESC[C@H]([NH2+][C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccco1
InChIInChI=1S/C22H20N2O2/c1-15(20-12-7-13-26-20)24-21(16-8-3-2-4-9-16)22(25)18-14-23-19-11-6-5-10-17(18)19/h2-15,21,23-24H,1H3/p+1/t15-,21+/m0/s1
InChIKeyYDKPHNVMKDQZSQ-YCRPNKLZSA-O
MW345.42 g/mol
LogP4.01
Rot. Bonds6

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

[(1S)-1-(furan-2-yl)ethyl]-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium (PubChem CID 9441387) has the molecular formula C22H21N2O2+ and a molecular weight of 345.42 g/mol. Its IUPAC name is [(1S)-1-(furan-2-yl)ethyl]-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium.

Molecular Properties

Compound Name[(1S)-1-(furan-2-yl)ethyl]-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium
PubChem CID9441387
Molecular FormulaC22H21N2O2+
Molecular Weight345.42 g/mol
Exact Mass345.16
IUPAC Name[(1S)-1-(furan-2-yl)ethyl]-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium
SMILESC[C@H]([NH2+][C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccco1
InChIInChI=1S/C22H20N2O2/c1-15(20-12-7-13-26-20)24-21(16-8-3-2-4-9-16)22(25)18-14-23-19-11-6-5-10-17(18)19/h2-15,21,23-24H,1H3/p+1/t15-,21+/m0/s1
InChIKeyYDKPHNVMKDQZSQ-YCRPNKLZSA-O
XLogP4.01
TPSA62.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1S)-1-(furan-2-yl)ethyl]-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium with MolForge

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Related Compounds

furan-2-ylmethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium
CID 9325925
(2S)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 9441385
2-acetamidoethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium
CID 9356616
2-amino-2-hydroxy-1-(1H-indol-3-yl)ethanone
CID 147638405
[(1R)-1-phenylethyl] 1H-indole-3-carboxylate
CID 8607675
2-(furan-2-yl)-1-(1H-indol-3-yl)-2-(3-methoxyanilino)ethanone
CID 86728606
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-[(1S)-1-(2-methoxyphenyl)ethyl]azanium
CID 9116558
trans-[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8019706
(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-(1H-indol-3-yl)-2-phenylethanone
CID 8892178
(2R)-1-(1H-indol-3-yl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylethanone
CID 9356699
(2R)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-(1H-indol-3-yl)propan-1-one
CID 99802307
[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium
CID 9001640

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(furan-2-yl)ethyl]-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium?
The IUPAC name of [(1S)-1-(furan-2-yl)ethyl]-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium (CID 9441387) is [(1S)-1-(furan-2-yl)ethyl]-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium.
What is the SMILES notation for [(1S)-1-(furan-2-yl)ethyl]-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium?
The canonical SMILES for [(1S)-1-(furan-2-yl)ethyl]-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium is C[C@H]([NH2+][C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccco1.
What is the InChIKey of [(1S)-1-(furan-2-yl)ethyl]-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium?
The InChIKey is YDKPHNVMKDQZSQ-YCRPNKLZSA-O. The full InChI is InChI=1S/C22H20N2O2/c1-15(20-12-7-13-26-20)24-21(16-8-3-2-4-9-16)22(25)18-14-23-19-11-6-5-10-17(18)19/h2-15,21,23-24H,1H3/p+1/t15-,21+/m0/s1.
What are the key properties of [(1S)-1-(furan-2-yl)ethyl]-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium?
[(1S)-1-(furan-2-yl)ethyl]-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium has a molecular weight of 345.42 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(furan-2-yl)ethyl]-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium is sourced from PubChem (CID 9441387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).