2-[(2-methoxybenzoyl)amino]ethyl-trimethylazanium

C13H21N2O2+ — CID 53299302

IUPAC2-[(2-methoxybenzoyl)amino]ethyl-trimethylazanium
SMILESCOc1ccccc1C(=O)NCC[N+](C)(C)C
InChIInChI=1S/C13H20N2O2/c1-15(2,3)10-9-14-13(16)11-7-5-6-8-12(11)17-4/h5-8H,9-10H2,1-4H3/p+1
InChIKeyOTKODFHZTPVCOR-UHFFFAOYSA-O
MW237.32 g/mol
LogP1.13
Rot. Bonds5

About 2-[(2-methoxybenzoyl)amino]ethyl-trimethylazanium

2-[(2-methoxybenzoyl)amino]ethyl-trimethylazanium (PubChem CID 53299302) has the molecular formula C13H21N2O2+ and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-[(2-methoxybenzoyl)amino]ethyl-trimethylazanium.

Molecular Properties

Compound Name2-[(2-methoxybenzoyl)amino]ethyl-trimethylazanium
PubChem CID53299302
Molecular FormulaC13H21N2O2+
Molecular Weight237.32 g/mol
Exact Mass237.16
IUPAC Name2-[(2-methoxybenzoyl)amino]ethyl-trimethylazanium
SMILESCOc1ccccc1C(=O)NCC[N+](C)(C)C
InChIInChI=1S/C13H20N2O2/c1-15(2,3)10-9-14-13(16)11-7-5-6-8-12(11)17-4/h5-8H,9-10H2,1-4H3/p+1
InChIKeyOTKODFHZTPVCOR-UHFFFAOYSA-O
XLogP1.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxybenzoyl)amino]ethyl-trimethylazanium?
The IUPAC name of 2-[(2-methoxybenzoyl)amino]ethyl-trimethylazanium (CID 53299302) is 2-[(2-methoxybenzoyl)amino]ethyl-trimethylazanium.
What is the SMILES notation for 2-[(2-methoxybenzoyl)amino]ethyl-trimethylazanium?
The canonical SMILES for 2-[(2-methoxybenzoyl)amino]ethyl-trimethylazanium is COc1ccccc1C(=O)NCC[N+](C)(C)C.
What is the InChIKey of 2-[(2-methoxybenzoyl)amino]ethyl-trimethylazanium?
The InChIKey is OTKODFHZTPVCOR-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H20N2O2/c1-15(2,3)10-9-14-13(16)11-7-5-6-8-12(11)17-4/h5-8H,9-10H2,1-4H3/p+1.
What are the key properties of 2-[(2-methoxybenzoyl)amino]ethyl-trimethylazanium?
2-[(2-methoxybenzoyl)amino]ethyl-trimethylazanium has a molecular weight of 237.32 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxybenzoyl)amino]ethyl-trimethylazanium is sourced from PubChem (CID 53299302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).