methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-(2-phenoxyethyl)azanium

C19H25N2O2+ — CID 8754904

IUPACmethyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-(2-phenoxyethyl)azanium
SMILESCc1ccccc1CNC(=O)C[NH+](C)CCOc1ccccc1
InChIInChI=1S/C19H24N2O2/c1-16-8-6-7-9-17(16)14-20-19(22)15-21(2)12-13-23-18-10-4-3-5-11-18/h3-11H,12-15H2,1-2H3,(H,20,22)/p+1
InChIKeyYNWWOLOFKJPLPU-UHFFFAOYSA-O
MW313.42 g/mol
LogP1.20
Rot. Bonds8

About methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-(2-phenoxyethyl)azanium

methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-(2-phenoxyethyl)azanium (PubChem CID 8754904) has the molecular formula C19H25N2O2+ and a molecular weight of 313.42 g/mol. Its IUPAC name is methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-(2-phenoxyethyl)azanium.

Molecular Properties

Compound Namemethyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-(2-phenoxyethyl)azanium
PubChem CID8754904
Molecular FormulaC19H25N2O2+
Molecular Weight313.42 g/mol
Exact Mass313.19
IUPAC Namemethyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-(2-phenoxyethyl)azanium
SMILESCc1ccccc1CNC(=O)C[NH+](C)CCOc1ccccc1
InChIInChI=1S/C19H24N2O2/c1-16-8-6-7-9-17(16)14-20-19(22)15-21(2)12-13-23-18-10-4-3-5-11-18/h3-11H,12-15H2,1-2H3,(H,20,22)/p+1
InChIKeyYNWWOLOFKJPLPU-UHFFFAOYSA-O
XLogP1.20
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797600
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797883
methyl-[2-(methylcarbamoylamino)-2-oxoethyl]-(2-phenoxyethyl)azanium
CID 8555496
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797925
(4,5-dimethoxy-2-methylphenyl)methyl-methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium
CID 8680598
[2-(2-methoxyanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797774
[2-(3-chloro-2-methylanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797585
methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-(2-phenoxyethyl)azanium
CID 8797759
methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-(2-phenoxyethyl)azanium
CID 9197464
[2-(4-cyanoanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797849
N-[2-(4-bromophenoxy)ethyl]-2-(2-methylphenyl)acetamide
CID 113099729
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797396

Frequently Asked Questions

What is the IUPAC name of methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-(2-phenoxyethyl)azanium?
The IUPAC name of methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-(2-phenoxyethyl)azanium (CID 8754904) is methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-(2-phenoxyethyl)azanium.
What is the SMILES notation for methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-(2-phenoxyethyl)azanium?
The canonical SMILES for methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-(2-phenoxyethyl)azanium is Cc1ccccc1CNC(=O)C[NH+](C)CCOc1ccccc1.
What is the InChIKey of methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-(2-phenoxyethyl)azanium?
The InChIKey is YNWWOLOFKJPLPU-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H24N2O2/c1-16-8-6-7-9-17(16)14-20-19(22)15-21(2)12-13-23-18-10-4-3-5-11-18/h3-11H,12-15H2,1-2H3,(H,20,22)/p+1.
What are the key properties of methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-(2-phenoxyethyl)azanium?
methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-(2-phenoxyethyl)azanium has a molecular weight of 313.42 g/mol, XLogP of 1.20, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-(2-phenoxyethyl)azanium is sourced from PubChem (CID 8754904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).