2-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-(2-methoxyethyl)acetamide

C15H24N2O3 — CID 61485623

IUPAC2-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1c(C)cc(CCN)cc1C
InChIInChI=1S/C15H24N2O3/c1-11-8-13(4-5-16)9-12(2)15(11)20-10-14(18)17-6-7-19-3/h8-9H,4-7,10,16H2,1-3H3,(H,17,18)
InChIKeyXKPNVZCJIVNQOO-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.95
Rot. Bonds8

About 2-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-(2-methoxyethyl)acetamide

2-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-(2-methoxyethyl)acetamide (PubChem CID 61485623) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-(2-methoxyethyl)acetamide
PubChem CID61485623
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1c(C)cc(CCN)cc1C
InChIInChI=1S/C15H24N2O3/c1-11-8-13(4-5-16)9-12(2)15(11)20-10-14(18)17-6-7-19-3/h8-9H,4-7,10,16H2,1-3H3,(H,17,18)
InChIKeyXKPNVZCJIVNQOO-UHFFFAOYSA-N
XLogP0.95
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-4,6-dimethylphenoxy)-N-(2-methoxyethyl)acetamide
CID 62098346
2-(4-carbamothioyl-2,6-dimethylphenoxy)-N-(2-methoxyethyl)acetamide
CID 65471730
2-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-prop-2-ynylacetamide
CID 54931313
N-[2-(4-aminophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 119548920
2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 61487525
N-(2-aminoethyl)-2-(4-methoxy-3,5-dimethylphenyl)acetamide
CID 110832932
2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 2276597
2-(4-fluoro-3-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 81421514
2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-(2-methoxyethyl)propanamide
CID 107739572
2-[2-(aminomethyl)-6-fluorophenoxy]-N-(2-methoxyethyl)acetamide
CID 112608108
3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]propanoic acid
CID 43092392
2-(2,4-difluoro-6-sulfamoylphenoxy)-N-(2-methoxyethyl)acetamide
CID 82915817

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-(2-methoxyethyl)acetamide (CID 61485623) is 2-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-(2-methoxyethyl)acetamide is COCCNC(=O)COc1c(C)cc(CCN)cc1C.
What is the InChIKey of 2-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-(2-methoxyethyl)acetamide?
The InChIKey is XKPNVZCJIVNQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11-8-13(4-5-16)9-12(2)15(11)20-10-14(18)17-6-7-19-3/h8-9H,4-7,10,16H2,1-3H3,(H,17,18).
What are the key properties of 2-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-(2-methoxyethyl)acetamide?
2-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-(2-methoxyethyl)acetamide has a molecular weight of 280.37 g/mol, XLogP of 0.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 61485623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).