4-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)phenyl]butanamide

C20H25NO4 — CID 60567368

IUPAC4-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)phenyl]butanamide
SMILESCOCCOCCCC(=O)Nc1ccccc1Oc1ccc(C)cc1
InChIInChI=1S/C20H25NO4/c1-16-9-11-17(12-10-16)25-19-7-4-3-6-18(19)21-20(22)8-5-13-24-15-14-23-2/h3-4,6-7,9-12H,5,8,13-15H2,1-2H3,(H,21,22)
InChIKeyYMWYGSDWAFXJBV-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.17
Rot. Bonds10

About 4-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)phenyl]butanamide

4-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)phenyl]butanamide (PubChem CID 60567368) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)phenyl]butanamide.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)phenyl]butanamide
PubChem CID60567368
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name4-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)phenyl]butanamide
SMILESCOCCOCCCC(=O)Nc1ccccc1Oc1ccc(C)cc1
InChIInChI=1S/C20H25NO4/c1-16-9-11-17(12-10-16)25-19-7-4-3-6-18(19)21-20(22)8-5-13-24-15-14-23-2/h3-4,6-7,9-12H,5,8,13-15H2,1-2H3,(H,21,22)
InChIKeyYMWYGSDWAFXJBV-UHFFFAOYSA-N
XLogP4.17
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)phenyl]butanamide?
The IUPAC name of 4-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)phenyl]butanamide (CID 60567368) is 4-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)phenyl]butanamide.
What is the SMILES notation for 4-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)phenyl]butanamide?
The canonical SMILES for 4-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)phenyl]butanamide is COCCOCCCC(=O)Nc1ccccc1Oc1ccc(C)cc1.
What is the InChIKey of 4-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)phenyl]butanamide?
The InChIKey is YMWYGSDWAFXJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-16-9-11-17(12-10-16)25-19-7-4-3-6-18(19)21-20(22)8-5-13-24-15-14-23-2/h3-4,6-7,9-12H,5,8,13-15H2,1-2H3,(H,21,22).
What are the key properties of 4-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)phenyl]butanamide?
4-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)phenyl]butanamide has a molecular weight of 343.42 g/mol, XLogP of 4.17, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)phenyl]butanamide is sourced from PubChem (CID 60567368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).