N-(2-methoxyphenyl)-4-(3-methylphenoxy)butanamide

C18H21NO3 — CID 19173646

IUPACN-(2-methoxyphenyl)-4-(3-methylphenoxy)butanamide
SMILESCOc1ccccc1NC(=O)CCCOc1cccc(C)c1
InChIInChI=1S/C18H21NO3/c1-14-7-5-8-15(13-14)22-12-6-11-18(20)19-16-9-3-4-10-17(16)21-2/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,19,20)
InChIKeyJFXXNWJPPORZGY-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.80
Rot. Bonds7

About N-(2-methoxyphenyl)-4-(3-methylphenoxy)butanamide

N-(2-methoxyphenyl)-4-(3-methylphenoxy)butanamide (PubChem CID 19173646) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-(3-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-(3-methylphenoxy)butanamide
PubChem CID19173646
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-(2-methoxyphenyl)-4-(3-methylphenoxy)butanamide
SMILESCOc1ccccc1NC(=O)CCCOc1cccc(C)c1
InChIInChI=1S/C18H21NO3/c1-14-7-5-8-15(13-14)22-12-6-11-18(20)19-16-9-3-4-10-17(16)21-2/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,19,20)
InChIKeyJFXXNWJPPORZGY-UHFFFAOYSA-N
XLogP3.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-methoxyphenyl)-4-(3-methylphenoxy)butanamide 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

4-(3-methylphenoxy)-N-(2-propoxyphenyl)butanamide
CID 112793578
methyl 4,5-dimethoxy-2-[4-(3-methylphenoxy)butanoylamino]benzoate
CID 8801684
N-(2-ethoxyphenyl)-3-(3-methylphenoxy)propanamide
CID 2939056
4-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 19173643
4-(3-methylphenoxy)-N-phenylbutanamide
CID 19173641
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate
CID 7148116
N-(3-amino-4-methoxyphenyl)-4-(3-methylphenoxy)butanamide;hydrochloride
CID 119419628
N-[2-(dimethylsulfamoyl)phenyl]-4-(3-methylphenoxy)butanamide
CID 55983828
N-[2,5-dimethoxy-4-[3-(3-methylphenoxy)propanoylamino]phenyl]benzamide
CID 2604010
N-(2-fluorophenyl)-3-(3-methylphenoxy)propanamide
CID 9413689
N-(2-methoxyphenyl)-2-(3-pentoxyphenoxy)acetamide
CID 4733241
4-(2-aminophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 84553998

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-(3-methylphenoxy)butanamide?
The IUPAC name of N-(2-methoxyphenyl)-4-(3-methylphenoxy)butanamide (CID 19173646) is N-(2-methoxyphenyl)-4-(3-methylphenoxy)butanamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-(3-methylphenoxy)butanamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-(3-methylphenoxy)butanamide is COc1ccccc1NC(=O)CCCOc1cccc(C)c1.
What is the InChIKey of N-(2-methoxyphenyl)-4-(3-methylphenoxy)butanamide?
The InChIKey is JFXXNWJPPORZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-14-7-5-8-15(13-14)22-12-6-11-18(20)19-16-9-3-4-10-17(16)21-2/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,19,20).
What are the key properties of N-(2-methoxyphenyl)-4-(3-methylphenoxy)butanamide?
N-(2-methoxyphenyl)-4-(3-methylphenoxy)butanamide has a molecular weight of 299.37 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-(3-methylphenoxy)butanamide is sourced from PubChem (CID 19173646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).