diethyl-[2-[[2-(4-phenylphenoxy)acetyl]amino]ethyl]azanium

C20H27N2O2+ — CID 6998960

IUPACdiethyl-[2-[[2-(4-phenylphenoxy)acetyl]amino]ethyl]azanium
SMILESCC[NH+](CC)CCNC(=O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H26N2O2/c1-3-22(4-2)15-14-21-20(23)16-24-19-12-10-18(11-13-19)17-8-6-5-7-9-17/h5-13H,3-4,14-16H2,1-2H3,(H,21,23)/p+1
InChIKeyWZJKIXSGENRUHQ-UHFFFAOYSA-O
MW327.45 g/mol
LogP1.77
Rot. Bonds9

About diethyl-[2-[[2-(4-phenylphenoxy)acetyl]amino]ethyl]azanium

diethyl-[2-[[2-(4-phenylphenoxy)acetyl]amino]ethyl]azanium (PubChem CID 6998960) has the molecular formula C20H27N2O2+ and a molecular weight of 327.45 g/mol. Its IUPAC name is diethyl-[2-[[2-(4-phenylphenoxy)acetyl]amino]ethyl]azanium.

Molecular Properties

Compound Namediethyl-[2-[[2-(4-phenylphenoxy)acetyl]amino]ethyl]azanium
PubChem CID6998960
Molecular FormulaC20H27N2O2+
Molecular Weight327.45 g/mol
Exact Mass327.21
IUPAC Namediethyl-[2-[[2-(4-phenylphenoxy)acetyl]amino]ethyl]azanium
SMILESCC[NH+](CC)CCNC(=O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H26N2O2/c1-3-22(4-2)15-14-21-20(23)16-24-19-12-10-18(11-13-19)17-8-6-5-7-9-17/h5-13H,3-4,14-16H2,1-2H3,(H,21,23)/p+1
InChIKeyWZJKIXSGENRUHQ-UHFFFAOYSA-O
XLogP1.77
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(4-benzoylphenoxy)acetyl]amino]ethyl-diethylazanium
CID 9315010
2-[[2-(4-phenylphenoxy)acetyl]amino]-N-propylacetamide
CID 9163146
N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]-4-phenylbenzamide
CID 108538441
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-phenylphenoxy)acetamide
CID 7919539
N'-acetyl-2-(4-phenylphenoxy)acetohydrazide
CID 3274977
1-(4-phenylphenoxy)butan-2-one
CID 62041258
N-(2-morpholin-4-ium-4-ylethyl)-2-(4-phenylphenoxy)acetamide
CID 7746055
N-carbamoyl-2-(4-phenylphenoxy)acetamide
CID 7868557
2-(4-methoxyphenoxy)-N-(2-phenoxyethyl)acetamide
CID 2265793
N-[2-(4-methoxyphenoxy)ethyl]-2-phenoxyacetamide
CID 17468348
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-phenylphenoxy)acetamide
CID 121119766
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-phenylphenoxy)acetate
CID 9140643

Frequently Asked Questions

What is the IUPAC name of diethyl-[2-[[2-(4-phenylphenoxy)acetyl]amino]ethyl]azanium?
The IUPAC name of diethyl-[2-[[2-(4-phenylphenoxy)acetyl]amino]ethyl]azanium (CID 6998960) is diethyl-[2-[[2-(4-phenylphenoxy)acetyl]amino]ethyl]azanium.
What is the SMILES notation for diethyl-[2-[[2-(4-phenylphenoxy)acetyl]amino]ethyl]azanium?
The canonical SMILES for diethyl-[2-[[2-(4-phenylphenoxy)acetyl]amino]ethyl]azanium is CC[NH+](CC)CCNC(=O)COc1ccc(-c2ccccc2)cc1.
What is the InChIKey of diethyl-[2-[[2-(4-phenylphenoxy)acetyl]amino]ethyl]azanium?
The InChIKey is WZJKIXSGENRUHQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H26N2O2/c1-3-22(4-2)15-14-21-20(23)16-24-19-12-10-18(11-13-19)17-8-6-5-7-9-17/h5-13H,3-4,14-16H2,1-2H3,(H,21,23)/p+1.
What are the key properties of diethyl-[2-[[2-(4-phenylphenoxy)acetyl]amino]ethyl]azanium?
diethyl-[2-[[2-(4-phenylphenoxy)acetyl]amino]ethyl]azanium has a molecular weight of 327.45 g/mol, XLogP of 1.77, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-[[2-(4-phenylphenoxy)acetyl]amino]ethyl]azanium is sourced from PubChem (CID 6998960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).