[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methyl-(3-phenoxypropyl)azanium

C20H25N2O2+ — CID 53350265

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methyl-(3-phenoxypropyl)azanium
SMILESC[NH+](CCCOc1ccccc1)CC(=O)N1CCc2ccccc21
InChIInChI=1S/C20H24N2O2/c1-21(13-7-15-24-18-9-3-2-4-10-18)16-20(23)22-14-12-17-8-5-6-11-19(17)22/h2-6,8-11H,7,12-16H2,1H3/p+1
InChIKeyQDSQQJZRKQDQSI-UHFFFAOYSA-O
MW325.43 g/mol
LogP1.56
Rot. Bonds7

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methyl-(3-phenoxypropyl)azanium

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methyl-(3-phenoxypropyl)azanium (PubChem CID 53350265) 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]-methyl-(3-phenoxypropyl)azanium.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methyl-(3-phenoxypropyl)azanium
PubChem CID53350265
Molecular FormulaC20H25N2O2+
Molecular Weight325.43 g/mol
Exact Mass325.19
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methyl-(3-phenoxypropyl)azanium
SMILESC[NH+](CCCOc1ccccc1)CC(=O)N1CCc2ccccc21
InChIInChI=1S/C20H24N2O2/c1-21(13-7-15-24-18-9-3-2-4-10-18)16-20(23)22-14-12-17-8-5-6-11-19(17)22/h2-6,8-11H,7,12-16H2,1H3/p+1
InChIKeyQDSQQJZRKQDQSI-UHFFFAOYSA-O
XLogP1.56
TPSA33.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methyl-(3-phenoxypropyl)azanium?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methyl-(3-phenoxypropyl)azanium (CID 53350265) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methyl-(3-phenoxypropyl)azanium.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methyl-(3-phenoxypropyl)azanium?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methyl-(3-phenoxypropyl)azanium is C[NH+](CCCOc1ccccc1)CC(=O)N1CCc2ccccc21.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methyl-(3-phenoxypropyl)azanium?
The InChIKey is QDSQQJZRKQDQSI-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H24N2O2/c1-21(13-7-15-24-18-9-3-2-4-10-18)16-20(23)22-14-12-17-8-5-6-11-19(17)22/h2-6,8-11H,7,12-16H2,1H3/p+1.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methyl-(3-phenoxypropyl)azanium?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methyl-(3-phenoxypropyl)azanium has a molecular weight of 325.43 g/mol, XLogP of 1.56, 7 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]-methyl-(3-phenoxypropyl)azanium is sourced from PubChem (CID 53350265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).