2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)hexanamide

C21H27NO2 — CID 20665661

IUPAC2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)hexanamide
SMILESCCCCC(Oc1ccc(C)cc1C)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C21H27NO2/c1-5-6-7-20(24-19-13-10-16(3)14-17(19)4)21(23)22-18-11-8-15(2)9-12-18/h8-14,20H,5-7H2,1-4H3,(H,22,23)
InChIKeyBIAYTNZNHLIQLB-UHFFFAOYSA-N
MW325.45 g/mol
LogP5.19
Rot. Bonds7

About 2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)hexanamide

2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)hexanamide (PubChem CID 20665661) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)hexanamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)hexanamide
PubChem CID20665661
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)hexanamide
SMILESCCCCC(Oc1ccc(C)cc1C)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C21H27NO2/c1-5-6-7-20(24-19-13-10-16(3)14-17(19)4)21(23)22-18-11-8-15(2)9-12-18/h8-14,20H,5-7H2,1-4H3,(H,22,23)
InChIKeyBIAYTNZNHLIQLB-UHFFFAOYSA-N
XLogP5.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.45
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)butanamide
CID 53288910
(2R)-2-(2,4-dimethylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 99133094
(2S)-2-(2,4-dimethylphenoxy)-N-(4-ethoxyphenyl)butanamide
CID 99133137
N-(4-butylphenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 53266463
2-(2,4-dimethylphenoxy)-N-(2-methylpropyl)octanamide
CID 54249044
(2S)-2-(2,4-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)butanamide
CID 100507893
(2R)-2-(2,4-dimethylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 99133066
N-[4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methylphenoxy)phenyl]-2-(2,4-dimethylphenoxy)octanamide
CID 22085894
2-(2,4-dimethylphenoxy)-N-propylbutanamide
CID 20682013
2-(2,4-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 53288935
N-(4-tert-butylphenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 53266783
2-(2,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 132651179

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)hexanamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)hexanamide (CID 20665661) is 2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)hexanamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)hexanamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)hexanamide is CCCCC(Oc1ccc(C)cc1C)C(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)hexanamide?
The InChIKey is BIAYTNZNHLIQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-5-6-7-20(24-19-13-10-16(3)14-17(19)4)21(23)22-18-11-8-15(2)9-12-18/h8-14,20H,5-7H2,1-4H3,(H,22,23).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)hexanamide?
2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)hexanamide has a molecular weight of 325.45 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)hexanamide is sourced from PubChem (CID 20665661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).