[2-(2,6-dimethyl-4-phenylmethoxyanilino)-2-oxoethyl]-diethylazanium chloride

C21H29ClN2O2 — CID 26961

IUPAC[2-(2,6-dimethyl-4-phenylmethoxyanilino)-2-oxoethyl]-diethylazanium chloride
SMILESCC[NH+](CC)CC(=O)Nc1c(C)cc(OCc2ccccc2)cc1C.[Cl-]
InChIInChI=1S/C21H28N2O2.ClH/c1-5-23(6-2)14-20(24)22-21-16(3)12-19(13-17(21)4)25-15-18-10-8-7-9-11-18;/h7-13H,5-6,14-15H2,1-4H3,(H,22,24);1H
InChIKeyUFIHMSXDCBJOJM-UHFFFAOYSA-N
MW376.93 g/mol
LogP-0.25
Rot. Bonds8

About [2-(2,6-dimethyl-4-phenylmethoxyanilino)-2-oxoethyl]-diethylazanium chloride

[2-(2,6-dimethyl-4-phenylmethoxyanilino)-2-oxoethyl]-diethylazanium chloride (PubChem CID 26961) has the molecular formula C21H29ClN2O2 and a molecular weight of 376.93 g/mol. Its IUPAC name is [2-(2,6-dimethyl-4-phenylmethoxyanilino)-2-oxoethyl]-diethylazanium chloride.

Molecular Properties

Compound Name[2-(2,6-dimethyl-4-phenylmethoxyanilino)-2-oxoethyl]-diethylazanium chloride
PubChem CID26961
Molecular FormulaC21H29ClN2O2
Molecular Weight376.93 g/mol
Exact Mass376.19
IUPAC Name[2-(2,6-dimethyl-4-phenylmethoxyanilino)-2-oxoethyl]-diethylazanium chloride
SMILESCC[NH+](CC)CC(=O)Nc1c(C)cc(OCc2ccccc2)cc1C.[Cl-]
InChIInChI=1S/C21H28N2O2.ClH/c1-5-23(6-2)14-20(24)22-21-16(3)12-19(13-17(21)4)25-15-18-10-8-7-9-11-18;/h7-13H,5-6,14-15H2,1-4H3,(H,22,24);1H
InChIKeyUFIHMSXDCBJOJM-UHFFFAOYSA-N
XLogP-0.25
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-6-methyl-4-phenylmethoxyphenyl)-3-(N,N'-diethylcarbamimidoyl)urea
CID 54263720
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-phenylmethoxybenzoate
CID 42980224
N-[2,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,3-dimethylbutanamide
CID 44602992
[2-(2,6-dimethylanilino)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7264252
benzyl-[2-(2,5-dimethylanilino)-2-oxoethyl]-ethylazanium
CID 8541334
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710
benzyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate
CID 78775976
[2-(2,6-dimethylanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 2535338
2-(3,4-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 4947508
2-methyl-4,6-bis(phenylmethoxy)phenol
CID 11301646
diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 11393300
2-(3,4-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide
CID 46771146

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethyl-4-phenylmethoxyanilino)-2-oxoethyl]-diethylazanium chloride?
The IUPAC name of [2-(2,6-dimethyl-4-phenylmethoxyanilino)-2-oxoethyl]-diethylazanium chloride (CID 26961) is [2-(2,6-dimethyl-4-phenylmethoxyanilino)-2-oxoethyl]-diethylazanium chloride.
What is the SMILES notation for [2-(2,6-dimethyl-4-phenylmethoxyanilino)-2-oxoethyl]-diethylazanium chloride?
The canonical SMILES for [2-(2,6-dimethyl-4-phenylmethoxyanilino)-2-oxoethyl]-diethylazanium chloride is CC[NH+](CC)CC(=O)Nc1c(C)cc(OCc2ccccc2)cc1C.[Cl-].
What is the InChIKey of [2-(2,6-dimethyl-4-phenylmethoxyanilino)-2-oxoethyl]-diethylazanium chloride?
The InChIKey is UFIHMSXDCBJOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2.ClH/c1-5-23(6-2)14-20(24)22-21-16(3)12-19(13-17(21)4)25-15-18-10-8-7-9-11-18;/h7-13H,5-6,14-15H2,1-4H3,(H,22,24);1H.
What are the key properties of [2-(2,6-dimethyl-4-phenylmethoxyanilino)-2-oxoethyl]-diethylazanium chloride?
[2-(2,6-dimethyl-4-phenylmethoxyanilino)-2-oxoethyl]-diethylazanium chloride has a molecular weight of 376.93 g/mol, XLogP of -0.25, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethyl-4-phenylmethoxyanilino)-2-oxoethyl]-diethylazanium chloride is sourced from PubChem (CID 26961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).