diethyl-[2-[4-[[2-(3-methylphenoxy)acetyl]amino]benzoyl]oxyethyl]azanium

C22H29N2O4+ — CID 8961513

IUPACdiethyl-[2-[4-[[2-(3-methylphenoxy)acetyl]amino]benzoyl]oxyethyl]azanium
SMILESCC[NH+](CC)CCOC(=O)c1ccc(NC(=O)COc2cccc(C)c2)cc1
InChIInChI=1S/C22H28N2O4/c1-4-24(5-2)13-14-27-22(26)18-9-11-19(12-10-18)23-21(25)16-28-20-8-6-7-17(3)15-20/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,23,25)/p+1
InChIKeyAWCSBEVSJARBNA-UHFFFAOYSA-O
MW385.48 g/mol
LogP2.09
Rot. Bonds10

About diethyl-[2-[4-[[2-(3-methylphenoxy)acetyl]amino]benzoyl]oxyethyl]azanium

diethyl-[2-[4-[[2-(3-methylphenoxy)acetyl]amino]benzoyl]oxyethyl]azanium (PubChem CID 8961513) has the molecular formula C22H29N2O4+ and a molecular weight of 385.48 g/mol. Its IUPAC name is diethyl-[2-[4-[[2-(3-methylphenoxy)acetyl]amino]benzoyl]oxyethyl]azanium.

Molecular Properties

Compound Namediethyl-[2-[4-[[2-(3-methylphenoxy)acetyl]amino]benzoyl]oxyethyl]azanium
PubChem CID8961513
Molecular FormulaC22H29N2O4+
Molecular Weight385.48 g/mol
Exact Mass385.21
IUPAC Namediethyl-[2-[4-[[2-(3-methylphenoxy)acetyl]amino]benzoyl]oxyethyl]azanium
SMILESCC[NH+](CC)CCOC(=O)c1ccc(NC(=O)COc2cccc(C)c2)cc1
InChIInChI=1S/C22H28N2O4/c1-4-24(5-2)13-14-27-22(26)18-9-11-19(12-10-18)23-21(25)16-28-20-8-6-7-17(3)15-20/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,23,25)/p+1
InChIKeyAWCSBEVSJARBNA-UHFFFAOYSA-O
XLogP2.09
TPSA69.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 4-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate
CID 19204042
diethyl-[2-[4-[[2-(2-fluorophenoxy)acetyl]amino]benzoyl]oxyethyl]azanium
CID 8961515
ethyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate
CID 26636676
pentyl 4-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzoate
CID 19169104
4-[[2-(3-methylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 26157492
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
4-[[2-(3-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide
CID 17196123
ethyl 4-[[2-(3-formylphenoxy)acetyl]amino]benzoate
CID 66489078
2-(3-methylphenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 675979
hexyl 4-[[2-(3-chlorophenoxy)acetyl]amino]benzoate
CID 19165925
2-(3-methylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 9153755
ethyl 4-[[2-(3-nitrophenoxy)acetyl]amino]benzoate
CID 7865514

Frequently Asked Questions

What is the IUPAC name of diethyl-[2-[4-[[2-(3-methylphenoxy)acetyl]amino]benzoyl]oxyethyl]azanium?
The IUPAC name of diethyl-[2-[4-[[2-(3-methylphenoxy)acetyl]amino]benzoyl]oxyethyl]azanium (CID 8961513) is diethyl-[2-[4-[[2-(3-methylphenoxy)acetyl]amino]benzoyl]oxyethyl]azanium.
What is the SMILES notation for diethyl-[2-[4-[[2-(3-methylphenoxy)acetyl]amino]benzoyl]oxyethyl]azanium?
The canonical SMILES for diethyl-[2-[4-[[2-(3-methylphenoxy)acetyl]amino]benzoyl]oxyethyl]azanium is CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)COc2cccc(C)c2)cc1.
What is the InChIKey of diethyl-[2-[4-[[2-(3-methylphenoxy)acetyl]amino]benzoyl]oxyethyl]azanium?
The InChIKey is AWCSBEVSJARBNA-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H28N2O4/c1-4-24(5-2)13-14-27-22(26)18-9-11-19(12-10-18)23-21(25)16-28-20-8-6-7-17(3)15-20/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,23,25)/p+1.
What are the key properties of diethyl-[2-[4-[[2-(3-methylphenoxy)acetyl]amino]benzoyl]oxyethyl]azanium?
diethyl-[2-[4-[[2-(3-methylphenoxy)acetyl]amino]benzoyl]oxyethyl]azanium has a molecular weight of 385.48 g/mol, XLogP of 2.09, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-[4-[[2-(3-methylphenoxy)acetyl]amino]benzoyl]oxyethyl]azanium is sourced from PubChem (CID 8961513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).