[(1R)-1-(furan-2-yl)-2-(9H-xanthene-9-carbonylamino)ethyl]-dimethylazanium

C22H23N2O3+ — CID 2550517

IUPAC[(1R)-1-(furan-2-yl)-2-(9H-xanthene-9-carbonylamino)ethyl]-dimethylazanium
SMILESC[NH+](C)[C@H](CNC(=O)C1c2ccccc2Oc2ccccc21)c1ccco1
InChIInChI=1S/C22H22N2O3/c1-24(2)17(20-12-7-13-26-20)14-23-22(25)21-15-8-3-5-10-18(15)27-19-11-6-4-9-16(19)21/h3-13,17,21H,14H2,1-2H3,(H,23,25)/p+1/t17-/m1/s1
InChIKeyNIJIYSZTAHLMHF-QGZVFWFLSA-O
MW363.44 g/mol
LogP2.52
Rot. Bonds5

About [(1R)-1-(furan-2-yl)-2-(9H-xanthene-9-carbonylamino)ethyl]-dimethylazanium

[(1R)-1-(furan-2-yl)-2-(9H-xanthene-9-carbonylamino)ethyl]-dimethylazanium (PubChem CID 2550517) has the molecular formula C22H23N2O3+ and a molecular weight of 363.44 g/mol. Its IUPAC name is [(1R)-1-(furan-2-yl)-2-(9H-xanthene-9-carbonylamino)ethyl]-dimethylazanium.

Molecular Properties

Compound Name[(1R)-1-(furan-2-yl)-2-(9H-xanthene-9-carbonylamino)ethyl]-dimethylazanium
PubChem CID2550517
Molecular FormulaC22H23N2O3+
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC Name[(1R)-1-(furan-2-yl)-2-(9H-xanthene-9-carbonylamino)ethyl]-dimethylazanium
SMILESC[NH+](C)[C@H](CNC(=O)C1c2ccccc2Oc2ccccc21)c1ccco1
InChIInChI=1S/C22H22N2O3/c1-24(2)17(20-12-7-13-26-20)14-23-22(25)21-15-8-3-5-10-18(15)27-19-11-6-4-9-16(19)21/h3-13,17,21H,14H2,1-2H3,(H,23,25)/p+1/t17-/m1/s1
InChIKeyNIJIYSZTAHLMHF-QGZVFWFLSA-O
XLogP2.52
TPSA55.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-9H-xanthene-9-carboxamide
CID 122244409
3-methyl-4-(9H-xanthene-9-carbonylamino)butanoic acid
CID 120537025
N-[(2R)-2-pyrrolidin-1-ylpropyl]-9H-xanthene-9-carboxamide
CID 94100172
[(1R)-2-[(4-bromobenzoyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium
CID 7692858
N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-9H-xanthene-9-carboxamide
CID 100728569
N-[[3-[(9H-xanthene-9-carbonylamino)methyl]phenyl]methyl]-9H-xanthene-9-carboxamide
CID 5112519
[(1S)-1-(furan-2-yl)-2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]-dimethylazanium
CID 2449545
[(1S)-2-(1-benzofuran-2-carbonylamino)-1-(furan-2-yl)ethyl]-dimethylazanium
CID 7831812
[(1S)-2-[(4,5-dibromothiophene-2-carbonyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium
CID 2450333
N-(2-hydroxy-3-methoxy-2-methylpropyl)-9H-xanthene-9-carboxamide
CID 90501021
[(1R)-2-[[(3R)-3-acetamido-3-phenylpropanoyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium
CID 2530415
[(1S)-2-[[2-(3,4-dimethylphenyl)acetyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium
CID 2481508

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(furan-2-yl)-2-(9H-xanthene-9-carbonylamino)ethyl]-dimethylazanium?
The IUPAC name of [(1R)-1-(furan-2-yl)-2-(9H-xanthene-9-carbonylamino)ethyl]-dimethylazanium (CID 2550517) is [(1R)-1-(furan-2-yl)-2-(9H-xanthene-9-carbonylamino)ethyl]-dimethylazanium.
What is the SMILES notation for [(1R)-1-(furan-2-yl)-2-(9H-xanthene-9-carbonylamino)ethyl]-dimethylazanium?
The canonical SMILES for [(1R)-1-(furan-2-yl)-2-(9H-xanthene-9-carbonylamino)ethyl]-dimethylazanium is C[NH+](C)[C@H](CNC(=O)C1c2ccccc2Oc2ccccc21)c1ccco1.
What is the InChIKey of [(1R)-1-(furan-2-yl)-2-(9H-xanthene-9-carbonylamino)ethyl]-dimethylazanium?
The InChIKey is NIJIYSZTAHLMHF-QGZVFWFLSA-O. The full InChI is InChI=1S/C22H22N2O3/c1-24(2)17(20-12-7-13-26-20)14-23-22(25)21-15-8-3-5-10-18(15)27-19-11-6-4-9-16(19)21/h3-13,17,21H,14H2,1-2H3,(H,23,25)/p+1/t17-/m1/s1.
What are the key properties of [(1R)-1-(furan-2-yl)-2-(9H-xanthene-9-carbonylamino)ethyl]-dimethylazanium?
[(1R)-1-(furan-2-yl)-2-(9H-xanthene-9-carbonylamino)ethyl]-dimethylazanium has a molecular weight of 363.44 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(furan-2-yl)-2-(9H-xanthene-9-carbonylamino)ethyl]-dimethylazanium is sourced from PubChem (CID 2550517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).