4-(4-methoxyphenoxy)-N-(3-methylphenyl)butanamide

C18H21NO3 — CID 7732946

IUPAC4-(4-methoxyphenoxy)-N-(3-methylphenyl)butanamide
SMILESCOc1ccc(OCCCC(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C18H21NO3/c1-14-5-3-6-15(13-14)19-18(20)7-4-12-22-17-10-8-16(21-2)9-11-17/h3,5-6,8-11,13H,4,7,12H2,1-2H3,(H,19,20)
InChIKeyDIZCWAWUAMMAGU-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.80
Rot. Bonds7

About 4-(4-methoxyphenoxy)-N-(3-methylphenyl)butanamide

4-(4-methoxyphenoxy)-N-(3-methylphenyl)butanamide (PubChem CID 7732946) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-N-(3-methylphenyl)butanamide.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-N-(3-methylphenyl)butanamide
PubChem CID7732946
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name4-(4-methoxyphenoxy)-N-(3-methylphenyl)butanamide
SMILESCOc1ccc(OCCCC(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C18H21NO3/c1-14-5-3-6-15(13-14)19-18(20)7-4-12-22-17-10-8-16(21-2)9-11-17/h3,5-6,8-11,13H,4,7,12H2,1-2H3,(H,19,20)
InChIKeyDIZCWAWUAMMAGU-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'}

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Related Compounds

3-[2-(4-methoxyphenoxy)ethylamino]-N-(3-methylphenyl)propanamide
CID 109031103
N-(4-methoxyphenyl)-4-[4-(3-methylphenoxy)butanoylamino]benzamide
CID 8884397
4-(3-methylphenoxy)-N-phenylbutanamide
CID 19173641
N-(3-chlorophenyl)-4-(4-methylphenoxy)butanamide
CID 2709974
4-(2-bromo-4-methylphenoxy)-N-(3-methoxyphenyl)butanamide
CID 19201641
4-(4-methylphenoxy)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide
CID 108933281
N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-4-(4-methylphenoxy)butanamide
CID 108768505
4-hydroxy-N-(3-methylphenyl)butanamide
CID 11367548
2-[3-(4-methylphenoxy)propylsulfanyl]-N-(3-methylphenyl)acetamide
CID 40545696
N-(3-amino-4-methoxyphenyl)-4-(3-methylphenoxy)butanamide;hydrochloride
CID 119419628
4-(4-methoxyphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]butanamide
CID 49035162
N-(3-bromophenyl)-4-(4-ethylphenoxy)butanamide
CID 19173838

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-N-(3-methylphenyl)butanamide?
The IUPAC name of 4-(4-methoxyphenoxy)-N-(3-methylphenyl)butanamide (CID 7732946) is 4-(4-methoxyphenoxy)-N-(3-methylphenyl)butanamide.
What is the SMILES notation for 4-(4-methoxyphenoxy)-N-(3-methylphenyl)butanamide?
The canonical SMILES for 4-(4-methoxyphenoxy)-N-(3-methylphenyl)butanamide is COc1ccc(OCCCC(=O)Nc2cccc(C)c2)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-N-(3-methylphenyl)butanamide?
The InChIKey is DIZCWAWUAMMAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-14-5-3-6-15(13-14)19-18(20)7-4-12-22-17-10-8-16(21-2)9-11-17/h3,5-6,8-11,13H,4,7,12H2,1-2H3,(H,19,20).
What are the key properties of 4-(4-methoxyphenoxy)-N-(3-methylphenyl)butanamide?
4-(4-methoxyphenoxy)-N-(3-methylphenyl)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 4-(4-methoxyphenoxy)-N-(3-methylphenyl)butanamide is sourced from PubChem (CID 7732946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).