trimethyl-[2-(2-naphthalen-2-ylacetyl)oxyethyl]azanium

C17H22NO2+ — CID 15225296

IUPACtrimethyl-[2-(2-naphthalen-2-ylacetyl)oxyethyl]azanium
SMILESC[N+](C)(C)CCOC(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C17H22NO2/c1-18(2,3)10-11-20-17(19)13-14-8-9-15-6-4-5-7-16(15)12-14/h4-9,12H,10-11,13H2,1-3H3/q+1
InChIKeyKDKPSHCBXJPRLY-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.63
Rot. Bonds5

About trimethyl-[2-(2-naphthalen-2-ylacetyl)oxyethyl]azanium

trimethyl-[2-(2-naphthalen-2-ylacetyl)oxyethyl]azanium (PubChem CID 15225296) has the molecular formula C17H22NO2+ and a molecular weight of 272.37 g/mol. Its IUPAC name is trimethyl-[2-(2-naphthalen-2-ylacetyl)oxyethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-(2-naphthalen-2-ylacetyl)oxyethyl]azanium
PubChem CID15225296
Molecular FormulaC17H22NO2+
Molecular Weight272.37 g/mol
Exact Mass272.16
IUPAC Nametrimethyl-[2-(2-naphthalen-2-ylacetyl)oxyethyl]azanium
SMILESC[N+](C)(C)CCOC(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C17H22NO2/c1-18(2,3)10-11-20-17(19)13-14-8-9-15-6-4-5-7-16(15)12-14/h4-9,12H,10-11,13H2,1-3H3/q+1
InChIKeyKDKPSHCBXJPRLY-UHFFFAOYSA-N
XLogP2.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-naphthalen-2-ylacetyl)oxyethyl 2-methylprop-2-enoate
CID 101047899
iodo 2-naphthalen-2-ylacetate
CID 129274840
CID 162695032
CID 162695032
tris[(2-naphthalen-2-ylacetyl)oxy]stannyl 2-naphthalen-2-ylacetate
CID 141032751
[2-(carbamoylamino)-2-oxoethyl] 2-naphthalen-2-ylacetate
CID 7828580
dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-(naphthalen-2-ylmethyl)azanium
CID 19917679
3-methylbutyl 2-(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)acetate
CID 154418602
trimethyl-[4-[2-oxo-2-(8-phenoxyoctoxy)ethyl]phenyl]azanium
CID 18345332
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-naphthalen-2-ylacetate
CID 7828719
(4-acetylphenyl) 2-naphthalen-2-ylacetate
CID 8764059
3-naphthalen-2-yl-2-oxopropanamide
CID 57061050
2-naphthalen-2-ylacetic acid;hydrate
CID 141284527

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(2-naphthalen-2-ylacetyl)oxyethyl]azanium?
The IUPAC name of trimethyl-[2-(2-naphthalen-2-ylacetyl)oxyethyl]azanium (CID 15225296) is trimethyl-[2-(2-naphthalen-2-ylacetyl)oxyethyl]azanium.
What is the SMILES notation for trimethyl-[2-(2-naphthalen-2-ylacetyl)oxyethyl]azanium?
The canonical SMILES for trimethyl-[2-(2-naphthalen-2-ylacetyl)oxyethyl]azanium is C[N+](C)(C)CCOC(=O)Cc1ccc2ccccc2c1.
What is the InChIKey of trimethyl-[2-(2-naphthalen-2-ylacetyl)oxyethyl]azanium?
The InChIKey is KDKPSHCBXJPRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22NO2/c1-18(2,3)10-11-20-17(19)13-14-8-9-15-6-4-5-7-16(15)12-14/h4-9,12H,10-11,13H2,1-3H3/q+1.
What are the key properties of trimethyl-[2-(2-naphthalen-2-ylacetyl)oxyethyl]azanium?
trimethyl-[2-(2-naphthalen-2-ylacetyl)oxyethyl]azanium has a molecular weight of 272.37 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(2-naphthalen-2-ylacetyl)oxyethyl]azanium is sourced from PubChem (CID 15225296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).