methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-(2-phenoxyethyl)azanium

C20H27N2O2+ — CID 8797759

IUPACmethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-(2-phenoxyethyl)azanium
SMILESCC(C)c1ccccc1NC(=O)C[NH+](C)CCOc1ccccc1
InChIInChI=1S/C20H26N2O2/c1-16(2)18-11-7-8-12-19(18)21-20(23)15-22(3)13-14-24-17-9-5-4-6-10-17/h4-12,16H,13-15H2,1-3H3,(H,21,23)/p+1
InChIKeyYLPZONKTPSCTMN-UHFFFAOYSA-O
MW327.45 g/mol
LogP2.34
Rot. Bonds8

About methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-(2-phenoxyethyl)azanium

methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-(2-phenoxyethyl)azanium (PubChem CID 8797759) has the molecular formula C20H27N2O2+ and a molecular weight of 327.45 g/mol. Its IUPAC name is methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-(2-phenoxyethyl)azanium.

Molecular Properties

Compound Namemethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-(2-phenoxyethyl)azanium
PubChem CID8797759
Molecular FormulaC20H27N2O2+
Molecular Weight327.45 g/mol
Exact Mass327.21
IUPAC Namemethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-(2-phenoxyethyl)azanium
SMILESCC(C)c1ccccc1NC(=O)C[NH+](C)CCOc1ccccc1
InChIInChI=1S/C20H26N2O2/c1-16(2)18-11-7-8-12-19(18)21-20(23)15-22(3)13-14-24-17-9-5-4-6-10-17/h4-12,16H,13-15H2,1-3H3,(H,21,23)/p+1
InChIKeyYLPZONKTPSCTMN-UHFFFAOYSA-O
XLogP2.34
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-anilino-2-oxoethyl)-methyl-(2-phenoxyethyl)azanium
CID 8797715
[2-(2-methoxyanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797774
2-phenoxy-N-(2-propan-2-ylphenyl)acetamide
CID 723304
[2-(3-chloro-2-methylanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797585
2-(4-ethoxyphenoxy)ethyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 9104944
methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-(2-phenoxyethyl)azanium
CID 9197464
methyl-[2-(4-methylphenoxy)ethyl]-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 9104878
[2-(2,5-dichloroanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797663
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797925
methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 9366621
methyl-[2-(methylcarbamoylamino)-2-oxoethyl]-(2-phenoxyethyl)azanium
CID 8555496
[2-(4-cyanoanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797849

Frequently Asked Questions

What is the IUPAC name of methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-(2-phenoxyethyl)azanium?
The IUPAC name of methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-(2-phenoxyethyl)azanium (CID 8797759) is methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-(2-phenoxyethyl)azanium.
What is the SMILES notation for methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-(2-phenoxyethyl)azanium?
The canonical SMILES for methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-(2-phenoxyethyl)azanium is CC(C)c1ccccc1NC(=O)C[NH+](C)CCOc1ccccc1.
What is the InChIKey of methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-(2-phenoxyethyl)azanium?
The InChIKey is YLPZONKTPSCTMN-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H26N2O2/c1-16(2)18-11-7-8-12-19(18)21-20(23)15-22(3)13-14-24-17-9-5-4-6-10-17/h4-12,16H,13-15H2,1-3H3,(H,21,23)/p+1.
What are the key properties of methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-(2-phenoxyethyl)azanium?
methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-(2-phenoxyethyl)azanium has a molecular weight of 327.45 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-(2-phenoxyethyl)azanium is sourced from PubChem (CID 8797759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).