2-(2-amino-4,6-dimethylphenoxy)-N-ethylacetamide

C12H18N2O2 — CID 62057922

IUPAC2-(2-amino-4,6-dimethylphenoxy)-N-ethylacetamide
SMILESCCNC(=O)COc1c(C)cc(C)cc1N
InChIInChI=1S/C12H18N2O2/c1-4-14-11(15)7-16-12-9(3)5-8(2)6-10(12)13/h5-6H,4,7,13H2,1-3H3,(H,14,15)
InChIKeyCOTFHRNGJVPONF-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.40
Rot. Bonds4

About 2-(2-amino-4,6-dimethylphenoxy)-N-ethylacetamide

2-(2-amino-4,6-dimethylphenoxy)-N-ethylacetamide (PubChem CID 62057922) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(2-amino-4,6-dimethylphenoxy)-N-ethylacetamide.

Molecular Properties

Compound Name2-(2-amino-4,6-dimethylphenoxy)-N-ethylacetamide
PubChem CID62057922
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(2-amino-4,6-dimethylphenoxy)-N-ethylacetamide
SMILESCCNC(=O)COc1c(C)cc(C)cc1N
InChIInChI=1S/C12H18N2O2/c1-4-14-11(15)7-16-12-9(3)5-8(2)6-10(12)13/h5-6H,4,7,13H2,1-3H3,(H,14,15)
InChIKeyCOTFHRNGJVPONF-UHFFFAOYSA-N
XLogP1.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.40
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-(2-amino-4,6-dimethylphenoxy)-N-(2-methoxyethyl)acetamide
CID 62098346
2-(2-amino-4,6-dimethylphenoxy)-N-phenylacetamide
CID 62056347
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 9405476
2-(3-amino-2,6-dimethylphenoxy)-N-ethylacetamide
CID 62018130
N-(2-amino-2-methylpropyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 119628968
2-(2-amino-4,6-dimethylphenoxy)-N-(3-chlorophenyl)acetamide
CID 62056523
2-(2,4-dimethylphenoxy)-N-ethylacetamide
CID 965411
N-[2-(4-aminophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 119548920
3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]propanoic acid
CID 43092392
2-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]-N-ethylacetamide
CID 112621650
2-(2-amino-4,6-dimethylphenoxy)-N-cyclopropyl-N-ethylacetamide
CID 62057785
2-(4-bromo-2-methyl-6-sulfamoylphenoxy)-N-ethylacetamide
CID 82915317

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4,6-dimethylphenoxy)-N-ethylacetamide?
The IUPAC name of 2-(2-amino-4,6-dimethylphenoxy)-N-ethylacetamide (CID 62057922) is 2-(2-amino-4,6-dimethylphenoxy)-N-ethylacetamide.
What is the SMILES notation for 2-(2-amino-4,6-dimethylphenoxy)-N-ethylacetamide?
The canonical SMILES for 2-(2-amino-4,6-dimethylphenoxy)-N-ethylacetamide is CCNC(=O)COc1c(C)cc(C)cc1N.
What is the InChIKey of 2-(2-amino-4,6-dimethylphenoxy)-N-ethylacetamide?
The InChIKey is COTFHRNGJVPONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-14-11(15)7-16-12-9(3)5-8(2)6-10(12)13/h5-6H,4,7,13H2,1-3H3,(H,14,15).
What are the key properties of 2-(2-amino-4,6-dimethylphenoxy)-N-ethylacetamide?
2-(2-amino-4,6-dimethylphenoxy)-N-ethylacetamide has a molecular weight of 222.29 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4,6-dimethylphenoxy)-N-ethylacetamide is sourced from PubChem (CID 62057922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).