[4-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]methyl-diethylazanium

C21H29N2O2+ — CID 7470149

IUPAC[4-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]methyl-diethylazanium
SMILESCC[NH+](CC)Cc1ccc(NC(=O)COc2cccc(C)c2C)cc1
InChIInChI=1S/C21H28N2O2/c1-5-23(6-2)14-18-10-12-19(13-11-18)22-21(24)15-25-20-9-7-8-16(3)17(20)4/h7-13H,5-6,14-15H2,1-4H3,(H,22,24)/p+1
InChIKeyARFFSGPCLPWMOD-UHFFFAOYSA-O
MW341.48 g/mol
LogP2.75
Rot. Bonds8

About [4-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]methyl-diethylazanium

[4-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]methyl-diethylazanium (PubChem CID 7470149) has the molecular formula C21H29N2O2+ and a molecular weight of 341.48 g/mol. Its IUPAC name is [4-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]methyl-diethylazanium.

Molecular Properties

Compound Name[4-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]methyl-diethylazanium
PubChem CID7470149
Molecular FormulaC21H29N2O2+
Molecular Weight341.48 g/mol
Exact Mass341.22
IUPAC Name[4-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]methyl-diethylazanium
SMILESCC[NH+](CC)Cc1ccc(NC(=O)COc2cccc(C)c2C)cc1
InChIInChI=1S/C21H28N2O2/c1-5-23(6-2)14-18-10-12-19(13-11-18)22-21(24)15-25-20-9-7-8-16(3)17(20)4/h7-13H,5-6,14-15H2,1-4H3,(H,22,24)/p+1
InChIKeyARFFSGPCLPWMOD-UHFFFAOYSA-O
XLogP2.75
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(diethylaminomethyl)phenyl]-2-(2,3-dimethylphenoxy)acetamide
CID 959330
2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 720608
4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoic acid
CID 19172685
2-(2,3-dimethylphenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 18164294
methyl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate
CID 720624
N-(3-amino-4-methylphenyl)-2-(2,3-dimethylphenoxy)acetamide
CID 28867346
propan-2-yl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate
CID 720636
N-[5-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-methylphenyl]propanamide
CID 46761130
2-(2,3-dimethylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 17130266
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7982131
2-(2,3-dimethylphenoxy)-N-(3-propoxyphenyl)acetamide
CID 17097883
N-(2-acetamidoethyl)-4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzamide
CID 121062189

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]methyl-diethylazanium?
The IUPAC name of [4-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]methyl-diethylazanium (CID 7470149) is [4-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]methyl-diethylazanium.
What is the SMILES notation for [4-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]methyl-diethylazanium?
The canonical SMILES for [4-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]methyl-diethylazanium is CC[NH+](CC)Cc1ccc(NC(=O)COc2cccc(C)c2C)cc1.
What is the InChIKey of [4-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]methyl-diethylazanium?
The InChIKey is ARFFSGPCLPWMOD-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H28N2O2/c1-5-23(6-2)14-18-10-12-19(13-11-18)22-21(24)15-25-20-9-7-8-16(3)17(20)4/h7-13H,5-6,14-15H2,1-4H3,(H,22,24)/p+1.
What are the key properties of [4-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]methyl-diethylazanium?
[4-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]methyl-diethylazanium has a molecular weight of 341.48 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]methyl-diethylazanium is sourced from PubChem (CID 7470149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).