2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylacetamide

C13H18N2O3 — CID 17404287

IUPAC2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylacetamide
SMILESCNC(=O)CNC(=O)COc1ccc(C)c(C)c1
InChIInChI=1S/C13H18N2O3/c1-9-4-5-11(6-10(9)2)18-8-13(17)15-7-12(16)14-3/h4-6H,7-8H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyIHCKANWCIKNQEJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.54
Rot. Bonds5

About 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylacetamide

2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylacetamide (PubChem CID 17404287) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylacetamide
PubChem CID17404287
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylacetamide
SMILESCNC(=O)CNC(=O)COc1ccc(C)c(C)c1
InChIInChI=1S/C13H18N2O3/c1-9-4-5-11(6-10(9)2)18-8-13(17)15-7-12(16)14-3/h4-6H,7-8H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyIHCKANWCIKNQEJ-UHFFFAOYSA-N
XLogP0.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 27760246
2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233359
methyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate
CID 108572647
N-[2-(dimethylamino)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 19165327
2-(3,4-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 21368057
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 8806310
2-(3,4-dimethylphenoxy)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 36904254
2-(3,4-dimethylphenoxy)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide
CID 19174002
2-(3,4-dimethylphenoxy)-N-[[(2R)-oxiran-2-yl]methyl]acetamide
CID 97180614
methyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]benzoate
CID 30789870
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]acetamide
CID 110615491
phenyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate
CID 108572636

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylacetamide?
The IUPAC name of 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylacetamide (CID 17404287) is 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylacetamide?
The canonical SMILES for 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylacetamide is CNC(=O)CNC(=O)COc1ccc(C)c(C)c1.
What is the InChIKey of 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylacetamide?
The InChIKey is IHCKANWCIKNQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-4-5-11(6-10(9)2)18-8-13(17)15-7-12(16)14-3/h4-6H,7-8H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylacetamide?
2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylacetamide has a molecular weight of 250.30 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylacetamide is sourced from PubChem (CID 17404287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).