2-(4-amino-2,5-dimethylphenoxy)-N-methylacetamide

C11H16N2O2 — CID 63180957

IUPAC2-(4-amino-2,5-dimethylphenoxy)-N-methylacetamide
SMILESCNC(=O)COc1cc(C)c(N)cc1C
InChIInChI=1S/C11H16N2O2/c1-7-5-10(8(2)4-9(7)12)15-6-11(14)13-3/h4-5H,6,12H2,1-3H3,(H,13,14)
InChIKeyGQZVWGMVZQKJHZ-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.01
Rot. Bonds3

About 2-(4-amino-2,5-dimethylphenoxy)-N-methylacetamide

2-(4-amino-2,5-dimethylphenoxy)-N-methylacetamide (PubChem CID 63180957) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(4-amino-2,5-dimethylphenoxy)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-amino-2,5-dimethylphenoxy)-N-methylacetamide
PubChem CID63180957
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(4-amino-2,5-dimethylphenoxy)-N-methylacetamide
SMILESCNC(=O)COc1cc(C)c(N)cc1C
InChIInChI=1S/C11H16N2O2/c1-7-5-10(8(2)4-9(7)12)15-6-11(14)13-3/h4-5H,6,12H2,1-3H3,(H,13,14)
InChIKeyGQZVWGMVZQKJHZ-UHFFFAOYSA-N
XLogP1.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-2,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 55159605
2-(5-amino-2,4-dimethylphenoxy)-N-propylacetamide
CID 114088084
2-(2,4-dimethylphenoxy)-N-methylacetamide
CID 965410
N-methyl-2-(2,3,5,6-tetramethylphenoxy)acetamide
CID 894749
4-(methoxymethoxy)-2,5-dimethylaniline
CID 65365298
2-(4-amino-2-fluoro-5-methylphenoxy)-N-phenylacetamide
CID 114415725
2-[2-amino-4-(2-methylpropanoyl)phenoxy]-N-methylacetamide
CID 82064320
2-(4-amino-5-methyl-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide
CID 65216681
2-(4-amino-2-fluoro-5-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 114415878
2-[2-bromo-4-(methylaminomethyl)phenoxy]-N-methylacetamide
CID 63044978
methyl 4-amino-2-[2-(methylamino)-2-oxoethoxy]benzoate
CID 106955114
2-[4-(aminomethyl)-2-bromophenoxy]-N-methylacetamide
CID 63046001

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,5-dimethylphenoxy)-N-methylacetamide?
The IUPAC name of 2-(4-amino-2,5-dimethylphenoxy)-N-methylacetamide (CID 63180957) is 2-(4-amino-2,5-dimethylphenoxy)-N-methylacetamide.
What is the SMILES notation for 2-(4-amino-2,5-dimethylphenoxy)-N-methylacetamide?
The canonical SMILES for 2-(4-amino-2,5-dimethylphenoxy)-N-methylacetamide is CNC(=O)COc1cc(C)c(N)cc1C.
What is the InChIKey of 2-(4-amino-2,5-dimethylphenoxy)-N-methylacetamide?
The InChIKey is GQZVWGMVZQKJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7-5-10(8(2)4-9(7)12)15-6-11(14)13-3/h4-5H,6,12H2,1-3H3,(H,13,14).
What are the key properties of 2-(4-amino-2,5-dimethylphenoxy)-N-methylacetamide?
2-(4-amino-2,5-dimethylphenoxy)-N-methylacetamide has a molecular weight of 208.26 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,5-dimethylphenoxy)-N-methylacetamide is sourced from PubChem (CID 63180957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).