2-[[2-(4-benzoylphenoxy)acetyl]amino]ethyl-diethylazanium

C21H27N2O3+ — CID 9315010

IUPAC2-[[2-(4-benzoylphenoxy)acetyl]amino]ethyl-diethylazanium
SMILESCC[NH+](CC)CCNC(=O)COc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C21H26N2O3/c1-3-23(4-2)15-14-22-20(24)16-26-19-12-10-18(11-13-19)21(25)17-8-6-5-7-9-17/h5-13H,3-4,14-16H2,1-2H3,(H,22,24)/p+1
InChIKeyMHAKOUIMSUSMQZ-UHFFFAOYSA-O
MW355.46 g/mol
LogP1.34
Rot. Bonds10

About 2-[[2-(4-benzoylphenoxy)acetyl]amino]ethyl-diethylazanium

2-[[2-(4-benzoylphenoxy)acetyl]amino]ethyl-diethylazanium (PubChem CID 9315010) has the molecular formula C21H27N2O3+ and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-[[2-(4-benzoylphenoxy)acetyl]amino]ethyl-diethylazanium.

Molecular Properties

Compound Name2-[[2-(4-benzoylphenoxy)acetyl]amino]ethyl-diethylazanium
PubChem CID9315010
Molecular FormulaC21H27N2O3+
Molecular Weight355.46 g/mol
Exact Mass355.20
IUPAC Name2-[[2-(4-benzoylphenoxy)acetyl]amino]ethyl-diethylazanium
SMILESCC[NH+](CC)CCNC(=O)COc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C21H26N2O3/c1-3-23(4-2)15-14-22-20(24)16-26-19-12-10-18(11-13-19)21(25)17-8-6-5-7-9-17/h5-13H,3-4,14-16H2,1-2H3,(H,22,24)/p+1
InChIKeyMHAKOUIMSUSMQZ-UHFFFAOYSA-O
XLogP1.34
TPSA59.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl-[2-[[2-(4-phenylphenoxy)acetyl]amino]ethyl]azanium
CID 6998960
2-(4-benzoylphenoxy)-N-(cyclopropylmethyl)acetamide
CID 134038104
2-(4-benzoylphenoxy)-N-(3-phenylmethoxypropyl)acetamide
CID 24682749
2-[[2-(4-benzoylphenoxy)acetyl]amino]-N-(2-ethylphenyl)acetamide
CID 9202240
2-(4-benzoylphenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121119254
2-(4-benzoylphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 75435846
[1-[[[2-(4-benzoylphenoxy)acetyl]amino]methyl]cyclohexyl]-dimethylazanium
CID 7696515
4-[2-(butylamino)-2-oxoethoxy]benzoic acid
CID 22645381
2-(4-benzoylphenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 7717850
N-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide
CID 837401
[2-(2-cyanoethylamino)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 8925466
2-[4-(4-fluorobenzoyl)phenoxy]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 9289810

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-benzoylphenoxy)acetyl]amino]ethyl-diethylazanium?
The IUPAC name of 2-[[2-(4-benzoylphenoxy)acetyl]amino]ethyl-diethylazanium (CID 9315010) is 2-[[2-(4-benzoylphenoxy)acetyl]amino]ethyl-diethylazanium.
What is the SMILES notation for 2-[[2-(4-benzoylphenoxy)acetyl]amino]ethyl-diethylazanium?
The canonical SMILES for 2-[[2-(4-benzoylphenoxy)acetyl]amino]ethyl-diethylazanium is CC[NH+](CC)CCNC(=O)COc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[[2-(4-benzoylphenoxy)acetyl]amino]ethyl-diethylazanium?
The InChIKey is MHAKOUIMSUSMQZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H26N2O3/c1-3-23(4-2)15-14-22-20(24)16-26-19-12-10-18(11-13-19)21(25)17-8-6-5-7-9-17/h5-13H,3-4,14-16H2,1-2H3,(H,22,24)/p+1.
What are the key properties of 2-[[2-(4-benzoylphenoxy)acetyl]amino]ethyl-diethylazanium?
2-[[2-(4-benzoylphenoxy)acetyl]amino]ethyl-diethylazanium has a molecular weight of 355.46 g/mol, XLogP of 1.34, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-benzoylphenoxy)acetyl]amino]ethyl-diethylazanium is sourced from PubChem (CID 9315010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).