[2-(tert-butylamino)-2-oxoethyl]-[2-(4-methoxyphenoxy)ethyl]-methylazanium

C16H27N2O3+ — CID 8767256

IUPAC[2-(tert-butylamino)-2-oxoethyl]-[2-(4-methoxyphenoxy)ethyl]-methylazanium
SMILESCOc1ccc(OCC[NH+](C)CC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C16H26N2O3/c1-16(2,3)17-15(19)12-18(4)10-11-21-14-8-6-13(20-5)7-9-14/h6-9H,10-12H2,1-5H3,(H,17,19)/p+1
InChIKeyXMBFQJIJIUWPGX-UHFFFAOYSA-O
MW295.40 g/mol
LogP0.50
Rot. Bonds7

About [2-(tert-butylamino)-2-oxoethyl]-[2-(4-methoxyphenoxy)ethyl]-methylazanium

[2-(tert-butylamino)-2-oxoethyl]-[2-(4-methoxyphenoxy)ethyl]-methylazanium (PubChem CID 8767256) has the molecular formula C16H27N2O3+ and a molecular weight of 295.40 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl]-[2-(4-methoxyphenoxy)ethyl]-methylazanium.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl]-[2-(4-methoxyphenoxy)ethyl]-methylazanium
PubChem CID8767256
Molecular FormulaC16H27N2O3+
Molecular Weight295.40 g/mol
Exact Mass295.20
IUPAC Name[2-(tert-butylamino)-2-oxoethyl]-[2-(4-methoxyphenoxy)ethyl]-methylazanium
SMILESCOc1ccc(OCC[NH+](C)CC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C16H26N2O3/c1-16(2,3)17-15(19)12-18(4)10-11-21-14-8-6-13(20-5)7-9-14/h6-9H,10-12H2,1-5H3,(H,17,19)/p+1
InChIKeyXMBFQJIJIUWPGX-UHFFFAOYSA-O
XLogP0.50
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797883
2-(4-bromophenoxy)ethyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9288794
methyl-[2-(methylcarbamoylamino)-2-oxoethyl]-(2-phenoxyethyl)azanium
CID 8555496
2-(4-chlorophenoxy)ethyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 8676736
[2-(tert-butylamino)-2-oxoethyl]-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]-methylazanium
CID 8768222
[2-(2-methoxyanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797774
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8024046
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797600
2-(4-bromophenoxy)ethyl-methyl-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]azanium
CID 8842511
[2-(4-chloroanilino)-2-oxoethyl]-methyl-[2-(4-methylphenoxy)ethyl]azanium
CID 9166416
N-tert-butyl-3-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 109025890
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[2-(4-chlorophenoxy)ethyl]-methylazanium
CID 9252186

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-[2-(4-methoxyphenoxy)ethyl]-methylazanium?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-[2-(4-methoxyphenoxy)ethyl]-methylazanium (CID 8767256) is [2-(tert-butylamino)-2-oxoethyl]-[2-(4-methoxyphenoxy)ethyl]-methylazanium.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl]-[2-(4-methoxyphenoxy)ethyl]-methylazanium?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl]-[2-(4-methoxyphenoxy)ethyl]-methylazanium is COc1ccc(OCC[NH+](C)CC(=O)NC(C)(C)C)cc1.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl]-[2-(4-methoxyphenoxy)ethyl]-methylazanium?
The InChIKey is XMBFQJIJIUWPGX-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H26N2O3/c1-16(2,3)17-15(19)12-18(4)10-11-21-14-8-6-13(20-5)7-9-14/h6-9H,10-12H2,1-5H3,(H,17,19)/p+1.
What are the key properties of [2-(tert-butylamino)-2-oxoethyl]-[2-(4-methoxyphenoxy)ethyl]-methylazanium?
[2-(tert-butylamino)-2-oxoethyl]-[2-(4-methoxyphenoxy)ethyl]-methylazanium has a molecular weight of 295.40 g/mol, XLogP of 0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl]-[2-(4-methoxyphenoxy)ethyl]-methylazanium is sourced from PubChem (CID 8767256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).