2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-(2-methoxyethyl)acetamide

C14H22N2O3 — CID 78936347

IUPAC2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1ccc(C)cc1[C@@H](C)N
InChIInChI=1S/C14H22N2O3/c1-10-4-5-13(12(8-10)11(2)15)19-9-14(17)16-6-7-18-3/h4-5,8,11H,6-7,9,15H2,1-3H3,(H,16,17)/t11-/m1/s1
InChIKeyPNNJYMVZIRAFDX-LLVKDONJSA-N
MW266.34 g/mol
LogP1.16
Rot. Bonds7

About 2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-(2-methoxyethyl)acetamide

2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-(2-methoxyethyl)acetamide (PubChem CID 78936347) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-(2-methoxyethyl)acetamide
PubChem CID78936347
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1ccc(C)cc1[C@@H](C)N
InChIInChI=1S/C14H22N2O3/c1-10-4-5-13(12(8-10)11(2)15)19-9-14(17)16-6-7-18-3/h4-5,8,11H,6-7,9,15H2,1-3H3,(H,16,17)/t11-/m1/s1
InChIKeyPNNJYMVZIRAFDX-LLVKDONJSA-N
XLogP1.16
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-(2-methoxyethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(1S)-1-hydroxyethyl]-4-methylphenoxy]-N-(2-methoxyethyl)acetamide
CID 78933862
2-[2-(1-aminoethyl)-4-methylphenoxy]-N-(3-methylbutyl)acetamide
CID 61486605
2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butylacetamide
CID 55190440
2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 63367325
2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-prop-2-enylacetamide
CID 55188483
2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methoxyethyl)acetamide
CID 63066535
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylacetamide
CID 62369378
2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 60701029
2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methoxyethyl)acetamide
CID 78931610
methyl 3-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]propanoate
CID 78955036
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(2-methylpropyl)acetamide
CID 78947098
2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-N-(2-cyanoethyl)acetamide
CID 78946994

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-(2-methoxyethyl)acetamide (CID 78936347) is 2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-(2-methoxyethyl)acetamide is COCCNC(=O)COc1ccc(C)cc1[C@@H](C)N.
What is the InChIKey of 2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-(2-methoxyethyl)acetamide?
The InChIKey is PNNJYMVZIRAFDX-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10-4-5-13(12(8-10)11(2)15)19-9-14(17)16-6-7-18-3/h4-5,8,11H,6-7,9,15H2,1-3H3,(H,16,17)/t11-/m1/s1.
What are the key properties of 2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-(2-methoxyethyl)acetamide?
2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-(2-methoxyethyl)acetamide has a molecular weight of 266.34 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 78936347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).