2-(2-amino-4,6-dimethylphenoxy)-N-(2-methoxyethyl)acetamide

C13H20N2O3 — CID 62098346

IUPAC2-(2-amino-4,6-dimethylphenoxy)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1c(C)cc(C)cc1N
InChIInChI=1S/C13H20N2O3/c1-9-6-10(2)13(11(14)7-9)18-8-12(16)15-4-5-17-3/h6-7H,4-5,8,14H2,1-3H3,(H,15,16)
InChIKeyNHLKUHWKIPNFGV-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.03
Rot. Bonds6

About 2-(2-amino-4,6-dimethylphenoxy)-N-(2-methoxyethyl)acetamide

2-(2-amino-4,6-dimethylphenoxy)-N-(2-methoxyethyl)acetamide (PubChem CID 62098346) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(2-amino-4,6-dimethylphenoxy)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-4,6-dimethylphenoxy)-N-(2-methoxyethyl)acetamide
PubChem CID62098346
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-(2-amino-4,6-dimethylphenoxy)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1c(C)cc(C)cc1N
InChIInChI=1S/C13H20N2O3/c1-9-6-10(2)13(11(14)7-9)18-8-12(16)15-4-5-17-3/h6-7H,4-5,8,14H2,1-3H3,(H,15,16)
InChIKeyNHLKUHWKIPNFGV-UHFFFAOYSA-N
XLogP1.03
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-4,6-dimethylphenoxy)-N-ethylacetamide
CID 62057922
2-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-(2-methoxyethyl)acetamide
CID 61485623
2-(4-carbamothioyl-2,6-dimethylphenoxy)-N-(2-methoxyethyl)acetamide
CID 65471730
N-[2-(4-aminophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 119548920
2-(2-amino-4,6-dimethylphenoxy)-N-phenylacetamide
CID 62056347
3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]propanoic acid
CID 43092392
2-(2-amino-4-formylphenoxy)-N-(2-methoxyethyl)acetamide
CID 82057058
N-(2-amino-2-methylpropyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 119628968
2-hydroxy-4-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]butanoic acid
CID 107831855
methyl (E)-5-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]pent-2-enoate
CID 146076901
N-(2-methoxyethyl)-3-(2,4,6-trimethylanilino)propanamide
CID 109015060
2-(2-amino-4,6-dimethylphenoxy)-N-(3-chlorophenyl)acetamide
CID 62056523

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4,6-dimethylphenoxy)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(2-amino-4,6-dimethylphenoxy)-N-(2-methoxyethyl)acetamide (CID 62098346) is 2-(2-amino-4,6-dimethylphenoxy)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(2-amino-4,6-dimethylphenoxy)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(2-amino-4,6-dimethylphenoxy)-N-(2-methoxyethyl)acetamide is COCCNC(=O)COc1c(C)cc(C)cc1N.
What is the InChIKey of 2-(2-amino-4,6-dimethylphenoxy)-N-(2-methoxyethyl)acetamide?
The InChIKey is NHLKUHWKIPNFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9-6-10(2)13(11(14)7-9)18-8-12(16)15-4-5-17-3/h6-7H,4-5,8,14H2,1-3H3,(H,15,16).
What are the key properties of 2-(2-amino-4,6-dimethylphenoxy)-N-(2-methoxyethyl)acetamide?
2-(2-amino-4,6-dimethylphenoxy)-N-(2-methoxyethyl)acetamide has a molecular weight of 252.31 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4,6-dimethylphenoxy)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 62098346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).