methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-(2-methylphenoxy)ethyl]azanium

C19H25N2O2+ — CID 8588078

IUPACmethyl-[2-(4-methylanilino)-2-oxoethyl]-[2-(2-methylphenoxy)ethyl]azanium
SMILESCc1ccc(NC(=O)C[NH+](C)CCOc2ccccc2C)cc1
InChIInChI=1S/C19H24N2O2/c1-15-8-10-17(11-9-15)20-19(22)14-21(3)12-13-23-18-7-5-4-6-16(18)2/h4-11H,12-14H2,1-3H3,(H,20,22)/p+1
InChIKeyBKLWCMJKEXLNSJ-UHFFFAOYSA-O
MW313.42 g/mol
LogP1.84
Rot. Bonds7

About methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-(2-methylphenoxy)ethyl]azanium

methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-(2-methylphenoxy)ethyl]azanium (PubChem CID 8588078) has the molecular formula C19H25N2O2+ and a molecular weight of 313.42 g/mol. Its IUPAC name is methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-(2-methylphenoxy)ethyl]azanium.

Molecular Properties

Compound Namemethyl-[2-(4-methylanilino)-2-oxoethyl]-[2-(2-methylphenoxy)ethyl]azanium
PubChem CID8588078
Molecular FormulaC19H25N2O2+
Molecular Weight313.42 g/mol
Exact Mass313.19
IUPAC Namemethyl-[2-(4-methylanilino)-2-oxoethyl]-[2-(2-methylphenoxy)ethyl]azanium
SMILESCc1ccc(NC(=O)C[NH+](C)CCOc2ccccc2C)cc1
InChIInChI=1S/C19H24N2O2/c1-15-8-10-17(11-9-15)20-19(22)14-21(3)12-13-23-18-7-5-4-6-16(18)2/h4-11H,12-14H2,1-3H3,(H,20,22)/p+1
InChIKeyBKLWCMJKEXLNSJ-UHFFFAOYSA-O
XLogP1.84
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenoxy)ethyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8729750
[2-(4-chloroanilino)-2-oxoethyl]-methyl-[2-(4-methylphenoxy)ethyl]azanium
CID 9166416
(2-anilino-2-oxoethyl)-methyl-(2-phenoxyethyl)azanium
CID 8797715
[2-(2,6-dimethylanilino)-2-oxoethyl]-[2-(2-fluorophenoxy)ethyl]-methylazanium
CID 9222181
methyl-[2-(3-methylanilino)-2-oxoethyl]-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8007094
[2-(4-cyanoanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797849
3-(2-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 39087955
methyl-[2-(4-methylphenoxy)ethyl]-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 9104878
(2-anilino-2-oxoethyl) 3-(2-methylphenoxy)propanoate
CID 9115075
methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-oxo-2-(4-propoxycarbonylanilino)ethyl]azanium
CID 8588118
3-(2-methylphenoxy)-N-(4-methylsulfanylphenyl)propanamide
CID 9153894
N-(4-hydroxyphenyl)-2-(2-methylphenoxy)acetamide
CID 38113216

Frequently Asked Questions

What is the IUPAC name of methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-(2-methylphenoxy)ethyl]azanium?
The IUPAC name of methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-(2-methylphenoxy)ethyl]azanium (CID 8588078) is methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-(2-methylphenoxy)ethyl]azanium.
What is the SMILES notation for methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-(2-methylphenoxy)ethyl]azanium?
The canonical SMILES for methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-(2-methylphenoxy)ethyl]azanium is Cc1ccc(NC(=O)C[NH+](C)CCOc2ccccc2C)cc1.
What is the InChIKey of methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-(2-methylphenoxy)ethyl]azanium?
The InChIKey is BKLWCMJKEXLNSJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H24N2O2/c1-15-8-10-17(11-9-15)20-19(22)14-21(3)12-13-23-18-7-5-4-6-16(18)2/h4-11H,12-14H2,1-3H3,(H,20,22)/p+1.
What are the key properties of methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-(2-methylphenoxy)ethyl]azanium?
methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-(2-methylphenoxy)ethyl]azanium has a molecular weight of 313.42 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-(2-methylphenoxy)ethyl]azanium is sourced from PubChem (CID 8588078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).