2-(2-methoxyethoxy)-N-[(3-methylphenyl)methyl]-N-propan-2-ylacetamide

C16H25NO3 — CID 50980674

IUPAC2-(2-methoxyethoxy)-N-[(3-methylphenyl)methyl]-N-propan-2-ylacetamide
SMILESCOCCOCC(=O)N(Cc1cccc(C)c1)C(C)C
InChIInChI=1S/C16H25NO3/c1-13(2)17(16(18)12-20-9-8-19-4)11-15-7-5-6-14(3)10-15/h5-7,10,13H,8-9,11-12H2,1-4H3
InChIKeyAFHRDZJTNZHBKD-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.40
Rot. Bonds8

About 2-(2-methoxyethoxy)-N-[(3-methylphenyl)methyl]-N-propan-2-ylacetamide

2-(2-methoxyethoxy)-N-[(3-methylphenyl)methyl]-N-propan-2-ylacetamide (PubChem CID 50980674) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-[(3-methylphenyl)methyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-[(3-methylphenyl)methyl]-N-propan-2-ylacetamide
PubChem CID50980674
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-(2-methoxyethoxy)-N-[(3-methylphenyl)methyl]-N-propan-2-ylacetamide
SMILESCOCCOCC(=O)N(Cc1cccc(C)c1)C(C)C
InChIInChI=1S/C16H25NO3/c1-13(2)17(16(18)12-20-9-8-19-4)11-15-7-5-6-14(3)10-15/h5-7,10,13H,8-9,11-12H2,1-4H3
InChIKeyAFHRDZJTNZHBKD-UHFFFAOYSA-N
XLogP2.40
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-methoxyethoxy)-N-[(3-methylphenyl)methyl]-N-propan-2-ylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-[(3-methylphenyl)methyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-[(3-methylphenyl)methyl]-N-propan-2-ylacetamide (CID 50980674) is 2-(2-methoxyethoxy)-N-[(3-methylphenyl)methyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-[(3-methylphenyl)methyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-[(3-methylphenyl)methyl]-N-propan-2-ylacetamide is COCCOCC(=O)N(Cc1cccc(C)c1)C(C)C.
What is the InChIKey of 2-(2-methoxyethoxy)-N-[(3-methylphenyl)methyl]-N-propan-2-ylacetamide?
The InChIKey is AFHRDZJTNZHBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-13(2)17(16(18)12-20-9-8-19-4)11-15-7-5-6-14(3)10-15/h5-7,10,13H,8-9,11-12H2,1-4H3.
What are the key properties of 2-(2-methoxyethoxy)-N-[(3-methylphenyl)methyl]-N-propan-2-ylacetamide?
2-(2-methoxyethoxy)-N-[(3-methylphenyl)methyl]-N-propan-2-ylacetamide has a molecular weight of 279.38 g/mol, XLogP of 2.40, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-[(3-methylphenyl)methyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 50980674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).