diethyl-[[2-[[[2-(3-methylphenoxy)acetyl]amino]methyl]phenyl]methyl]azanium

C21H29N2O2+ — CID 9073302

IUPACdiethyl-[[2-[[[2-(3-methylphenoxy)acetyl]amino]methyl]phenyl]methyl]azanium
SMILESCC[NH+](CC)Cc1ccccc1CNC(=O)COc1cccc(C)c1
InChIInChI=1S/C21H28N2O2/c1-4-23(5-2)15-19-11-7-6-10-18(19)14-22-21(24)16-25-20-12-8-9-17(3)13-20/h6-13H,4-5,14-16H2,1-3H3,(H,22,24)/p+1
InChIKeyHAQPJXRTOLRETK-UHFFFAOYSA-O
MW341.48 g/mol
LogP2.11
Rot. Bonds9

About diethyl-[[2-[[[2-(3-methylphenoxy)acetyl]amino]methyl]phenyl]methyl]azanium

diethyl-[[2-[[[2-(3-methylphenoxy)acetyl]amino]methyl]phenyl]methyl]azanium (PubChem CID 9073302) has the molecular formula C21H29N2O2+ and a molecular weight of 341.48 g/mol. Its IUPAC name is diethyl-[[2-[[[2-(3-methylphenoxy)acetyl]amino]methyl]phenyl]methyl]azanium.

Molecular Properties

Compound Namediethyl-[[2-[[[2-(3-methylphenoxy)acetyl]amino]methyl]phenyl]methyl]azanium
PubChem CID9073302
Molecular FormulaC21H29N2O2+
Molecular Weight341.48 g/mol
Exact Mass341.22
IUPAC Namediethyl-[[2-[[[2-(3-methylphenoxy)acetyl]amino]methyl]phenyl]methyl]azanium
SMILESCC[NH+](CC)Cc1ccccc1CNC(=O)COc1cccc(C)c1
InChIInChI=1S/C21H28N2O2/c1-4-23(5-2)15-19-11-7-6-10-18(19)14-22-21(24)16-25-20-12-8-9-17(3)13-20/h6-13H,4-5,14-16H2,1-3H3,(H,22,24)/p+1
InChIKeyHAQPJXRTOLRETK-UHFFFAOYSA-O
XLogP2.11
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(ethoxymethyl)phenyl]methyl]-2-(3-methylphenoxy)acetamide
CID 37398686
N-[(2-ethoxyphenyl)methyl]-2-(3-methylphenoxy)acetamide
CID 53288654
2-(3-methylphenoxy)-N-(quinolin-4-ylmethyl)acetamide
CID 110734260
N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2-(3-methylphenoxy)acetamide
CID 110730402
2-(3-methylphenoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]acetamide
CID 110786230
2-ethoxy-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide
CID 17140856
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(3-fluorophenoxy)acetamide
CID 9050172
N-hexadecyl-2-(3-methylphenoxy)acetamide
CID 3324097
3-(2-ethoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide
CID 51195376
N-[2-(methylamino)propyl]-2-(3-methylphenoxy)acetamide;hydrochloride
CID 120828955

Frequently Asked Questions

What is the IUPAC name of diethyl-[[2-[[[2-(3-methylphenoxy)acetyl]amino]methyl]phenyl]methyl]azanium?
The IUPAC name of diethyl-[[2-[[[2-(3-methylphenoxy)acetyl]amino]methyl]phenyl]methyl]azanium (CID 9073302) is diethyl-[[2-[[[2-(3-methylphenoxy)acetyl]amino]methyl]phenyl]methyl]azanium.
What is the SMILES notation for diethyl-[[2-[[[2-(3-methylphenoxy)acetyl]amino]methyl]phenyl]methyl]azanium?
The canonical SMILES for diethyl-[[2-[[[2-(3-methylphenoxy)acetyl]amino]methyl]phenyl]methyl]azanium is CC[NH+](CC)Cc1ccccc1CNC(=O)COc1cccc(C)c1.
What is the InChIKey of diethyl-[[2-[[[2-(3-methylphenoxy)acetyl]amino]methyl]phenyl]methyl]azanium?
The InChIKey is HAQPJXRTOLRETK-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H28N2O2/c1-4-23(5-2)15-19-11-7-6-10-18(19)14-22-21(24)16-25-20-12-8-9-17(3)13-20/h6-13H,4-5,14-16H2,1-3H3,(H,22,24)/p+1.
What are the key properties of diethyl-[[2-[[[2-(3-methylphenoxy)acetyl]amino]methyl]phenyl]methyl]azanium?
diethyl-[[2-[[[2-(3-methylphenoxy)acetyl]amino]methyl]phenyl]methyl]azanium has a molecular weight of 341.48 g/mol, XLogP of 2.11, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[[2-[[[2-(3-methylphenoxy)acetyl]amino]methyl]phenyl]methyl]azanium is sourced from PubChem (CID 9073302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).