N-[[2-(methoxymethyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide

C20H25NO3 — CID 32606836

IUPACN-[[2-(methoxymethyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide
SMILESCOCc1ccccc1CNC(=O)CCCOc1ccccc1C
InChIInChI=1S/C20H25NO3/c1-16-8-3-6-11-19(16)24-13-7-12-20(22)21-14-17-9-4-5-10-18(17)15-23-2/h3-6,8-11H,7,12-15H2,1-2H3,(H,21,22)
InChIKeyQRCOCFGDXWLDSD-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.62
Rot. Bonds9

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

N-[[2-(methoxymethyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide (PubChem CID 32606836) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide
PubChem CID32606836
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-[[2-(methoxymethyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide
SMILESCOCc1ccccc1CNC(=O)CCCOc1ccccc1C
InChIInChI=1S/C20H25NO3/c1-16-8-3-6-11-19(16)24-13-7-12-20(22)21-14-17-9-4-5-10-18(17)15-23-2/h3-6,8-11H,7,12-15H2,1-2H3,(H,21,22)
InChIKeyQRCOCFGDXWLDSD-UHFFFAOYSA-N
XLogP3.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[2-(methoxymethyl)phenyl]methyl]-4-(2-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

N-(3-methoxypropyl)-4-(2-methylphenoxy)butanamide
CID 127115832
N-[(2-chlorophenyl)methyl]-3-(2-methylphenoxy)propanamide
CID 7973168
7-amino-N-[[2-(methoxymethyl)phenyl]methyl]heptanamide
CID 60924992
4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)butanamide
CID 127115863
2-(2,5-dimethylphenoxy)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 33065540
2-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 60737939
4-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
CID 108760280
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide
CID 108759083
N-(2-ethyl-6-methylphenyl)-4-(2-methylphenoxy)butanamide
CID 19173293
4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide
CID 119320252
4-(2-methylphenoxy)-N-(2-methylphenyl)butanamide
CID 19173284
3-(4-fluorophenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]propanamide
CID 33066011

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide?
The IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide (CID 32606836) is N-[[2-(methoxymethyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide.
What is the SMILES notation for N-[[2-(methoxymethyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide?
The canonical SMILES for N-[[2-(methoxymethyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide is COCc1ccccc1CNC(=O)CCCOc1ccccc1C.
What is the InChIKey of N-[[2-(methoxymethyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide?
The InChIKey is QRCOCFGDXWLDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-16-8-3-6-11-19(16)24-13-7-12-20(22)21-14-17-9-4-5-10-18(17)15-23-2/h3-6,8-11H,7,12-15H2,1-2H3,(H,21,22).
What are the key properties of N-[[2-(methoxymethyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide?
N-[[2-(methoxymethyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide has a molecular weight of 327.42 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide is sourced from PubChem (CID 32606836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).