[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium

C20H25N2O2+ — CID 8805310

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
SMILESCOc1ccc(C)cc1C[NH+](C)CC(=O)N1CCc2ccccc21
InChIInChI=1S/C20H24N2O2/c1-15-8-9-19(24-3)17(12-15)13-21(2)14-20(23)22-11-10-16-6-4-5-7-18(16)22/h4-9,12H,10-11,13-14H2,1-3H3/p+1
InChIKeyUALOQAXDGDDEAI-UHFFFAOYSA-O
MW325.43 g/mol
LogP1.61
Rot. Bonds5

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium (PubChem CID 8805310) has the molecular formula C20H25N2O2+ and a molecular weight of 325.43 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
PubChem CID8805310
Molecular FormulaC20H25N2O2+
Molecular Weight325.43 g/mol
Exact Mass325.19
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
SMILESCOc1ccc(C)cc1C[NH+](C)CC(=O)N1CCc2ccccc21
InChIInChI=1S/C20H24N2O2/c1-15-8-9-19(24-3)17(12-15)13-21(2)14-20(23)22-11-10-16-6-4-5-7-18(16)22/h4-9,12H,10-11,13-14H2,1-3H3/p+1
InChIKeyUALOQAXDGDDEAI-UHFFFAOYSA-O
XLogP1.61
TPSA33.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium
CID 8805466
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9339134
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (3S)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 8634542
1-(2,3-dihydroindol-1-yl)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propane-1,3-dione
CID 108951395
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-methoxy-5-methylanilino)propan-1-one
CID 47877423
[2-(3,4-diethoxyanilino)-2-oxoethyl]-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylazanium
CID 8818636
2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 43024576
3-(2,3-dihydroindole-1-carbonyl)-N-(2-methoxy-5-methylphenyl)benzamide
CID 109057107
1-(2,3-dihydroindol-1-yl)-2-(2-methoxyanilino)ethanone
CID 9080490
1-(2,3-dihydroindol-1-yl)-2-[(3,4-dimethoxyphenyl)methylamino]ethanone
CID 109003066
3-(5-amino-2,4-dimethoxyphenyl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 82183966

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium (CID 8805310) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium is COc1ccc(C)cc1C[NH+](C)CC(=O)N1CCc2ccccc21.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium?
The InChIKey is UALOQAXDGDDEAI-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H24N2O2/c1-15-8-9-19(24-3)17(12-15)13-21(2)14-20(23)22-11-10-16-6-4-5-7-18(16)22/h4-9,12H,10-11,13-14H2,1-3H3/p+1.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium has a molecular weight of 325.43 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium is sourced from PubChem (CID 8805310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).