2-(3,5-dimethylphenoxy)-N-(4-methylphenyl)butanamide

C19H23NO2 — CID 17034416

IUPAC2-(3,5-dimethylphenoxy)-N-(4-methylphenyl)butanamide
SMILESCCC(Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C19H23NO2/c1-5-18(22-17-11-14(3)10-15(4)12-17)19(21)20-16-8-6-13(2)7-9-16/h6-12,18H,5H2,1-4H3,(H,20,21)
InChIKeyLHUUNUBIZAMYRE-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.41
Rot. Bonds5

About 2-(3,5-dimethylphenoxy)-N-(4-methylphenyl)butanamide

2-(3,5-dimethylphenoxy)-N-(4-methylphenyl)butanamide (PubChem CID 17034416) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-(4-methylphenyl)butanamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-(4-methylphenyl)butanamide
PubChem CID17034416
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name2-(3,5-dimethylphenoxy)-N-(4-methylphenyl)butanamide
SMILESCCC(Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C19H23NO2/c1-5-18(22-17-11-14(3)10-15(4)12-17)19(21)20-16-8-6-13(2)7-9-16/h6-12,18H,5H2,1-4H3,(H,20,21)
InChIKeyLHUUNUBIZAMYRE-UHFFFAOYSA-N
XLogP4.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetylphenyl)-2-(3,5-dimethylphenoxy)butanamide
CID 17034445
methyl 4-[2-(3,5-dimethylphenoxy)butanoylamino]benzoate
CID 17034486
N-(3,4-difluorophenyl)-2-(3,5-dimethylphenoxy)butanamide
CID 53288917
N-(4-cyclopentyloxyphenyl)-2-(3,5-dimethylphenoxy)butanamide
CID 132655055
N-(4-ethylphenyl)-2-(4-methylphenoxy)butanamide
CID 53286287
2-(3,5-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide
CID 132659061
N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)butanamide
CID 4950024
2-(3-methylphenoxy)-N-[4-[4-[2-(3-methylphenoxy)butanoylamino]phenoxy]phenyl]butanamide
CID 4929418
2-(3,4-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide
CID 53284429
2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)butanamide
CID 53288910
(2R)-2-(3-methylphenoxy)-N-[4-(propanoylamino)phenyl]butanamide
CID 42579556
N-(4-cyanophenyl)-2-(4-methylphenoxy)butanamide
CID 4949925

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-(4-methylphenyl)butanamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-(4-methylphenyl)butanamide (CID 17034416) is 2-(3,5-dimethylphenoxy)-N-(4-methylphenyl)butanamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-(4-methylphenyl)butanamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-(4-methylphenyl)butanamide is CCC(Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-(4-methylphenyl)butanamide?
The InChIKey is LHUUNUBIZAMYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-5-18(22-17-11-14(3)10-15(4)12-17)19(21)20-16-8-6-13(2)7-9-16/h6-12,18H,5H2,1-4H3,(H,20,21).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-(4-methylphenyl)butanamide?
2-(3,5-dimethylphenoxy)-N-(4-methylphenyl)butanamide has a molecular weight of 297.40 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-(4-methylphenyl)butanamide is sourced from PubChem (CID 17034416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).