2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-methylbenzamide

C18H20N2O3 — CID 17353983

IUPAC2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NC(=O)COc1c(C)cccc1C
InChIInChI=1S/C18H20N2O3/c1-12-7-6-8-13(2)17(12)23-11-16(21)20-15-10-5-4-9-14(15)18(22)19-3/h4-10H,11H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyYUQCOQACDFLVNB-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.68
Rot. Bonds5

About 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-methylbenzamide

2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-methylbenzamide (PubChem CID 17353983) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-methylbenzamide
PubChem CID17353983
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NC(=O)COc1c(C)cccc1C
InChIInChI=1S/C18H20N2O3/c1-12-7-6-8-13(2)17(12)23-11-16(21)20-15-10-5-4-9-14(15)18(22)19-3/h4-10H,11H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyYUQCOQACDFLVNB-UHFFFAOYSA-N
XLogP2.68
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoic acid
CID 5046071
4-[[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoyl]amino]benzoic acid
CID 1298155
2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 86835516
2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide
CID 17354006
2-(2,6-dimethylphenoxy)-N-(2-ethoxyphenyl)acetamide
CID 834898
2-(2,6-dimethylphenoxy)-N'-methylacetohydrazide
CID 116820679
N-(3-chloro-2-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 835994
N-methyl-2-(3-oxobutanoylamino)benzamide
CID 43579628
2-(2-formyl-6-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 115955536
2-[[2-(2-methylphenoxy)acetyl]amino]benzamide
CID 4268113
2-(2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide
CID 776559
2-(4-chlorobutanoylamino)-N-methylbenzamide
CID 17161020

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-methylbenzamide?
The IUPAC name of 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-methylbenzamide (CID 17353983) is 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-methylbenzamide is CNC(=O)c1ccccc1NC(=O)COc1c(C)cccc1C.
What is the InChIKey of 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-methylbenzamide?
The InChIKey is YUQCOQACDFLVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12-7-6-8-13(2)17(12)23-11-16(21)20-15-10-5-4-9-14(15)18(22)19-3/h4-10H,11H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-methylbenzamide?
2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-methylbenzamide has a molecular weight of 312.37 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 17353983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).