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

C20H23NO3 — CID 17034445

IUPACN-(4-acetylphenyl)-2-(3,5-dimethylphenoxy)butanamide
SMILESCCC(Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C20H23NO3/c1-5-19(24-18-11-13(2)10-14(3)12-18)20(23)21-17-8-6-16(7-9-17)15(4)22/h6-12,19H,5H2,1-4H3,(H,21,23)
InChIKeyOXVHENPPNPSWNY-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.30
Rot. Bonds6

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

N-(4-acetylphenyl)-2-(3,5-dimethylphenoxy)butanamide (PubChem CID 17034445) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(3,5-dimethylphenoxy)butanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(3,5-dimethylphenoxy)butanamide
PubChem CID17034445
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-(4-acetylphenyl)-2-(3,5-dimethylphenoxy)butanamide
SMILESCCC(Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C20H23NO3/c1-5-19(24-18-11-13(2)10-14(3)12-18)20(23)21-17-8-6-16(7-9-17)15(4)22/h6-12,19H,5H2,1-4H3,(H,21,23)
InChIKeyOXVHENPPNPSWNY-UHFFFAOYSA-N
XLogP4.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylphenoxy)-N-(4-methylphenyl)butanamide
CID 17034416
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
2-(3,5-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide
CID 132659061
N-(3-acetylphenyl)-2-(4-methylphenoxy)butanamide
CID 4949978
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
(2R)-2-(3-methylphenoxy)-N-[4-(propanoylamino)phenyl]butanamide
CID 42579556
(2S)-2-(3-methylphenoxy)-N-[4-(propanoylamino)phenyl]butanamide
CID 42579555
N-[4-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide
CID 17235402
(2S)-2-(3,5-dimethylphenoxy)-N-(9-ethylcarbazol-3-yl)butanamide
CID 28988595

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(3,5-dimethylphenoxy)butanamide?
The IUPAC name of N-(4-acetylphenyl)-2-(3,5-dimethylphenoxy)butanamide (CID 17034445) is N-(4-acetylphenyl)-2-(3,5-dimethylphenoxy)butanamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(3,5-dimethylphenoxy)butanamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(3,5-dimethylphenoxy)butanamide is CCC(Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(3,5-dimethylphenoxy)butanamide?
The InChIKey is OXVHENPPNPSWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-5-19(24-18-11-13(2)10-14(3)12-18)20(23)21-17-8-6-16(7-9-17)15(4)22/h6-12,19H,5H2,1-4H3,(H,21,23).
What are the key properties of N-(4-acetylphenyl)-2-(3,5-dimethylphenoxy)butanamide?
N-(4-acetylphenyl)-2-(3,5-dimethylphenoxy)butanamide has a molecular weight of 325.41 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(3,5-dimethylphenoxy)butanamide is sourced from PubChem (CID 17034445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).