2-(2,4-dimethylphenoxy)-N-(2-methylpropyl)octanamide

C20H33NO2 — CID 54249044

IUPAC2-(2,4-dimethylphenoxy)-N-(2-methylpropyl)octanamide
SMILESCCCCCCC(Oc1ccc(C)cc1C)C(=O)NCC(C)C
InChIInChI=1S/C20H33NO2/c1-6-7-8-9-10-19(20(22)21-14-15(2)3)23-18-12-11-16(4)13-17(18)5/h11-13,15,19H,6-10,14H2,1-5H3,(H,21,22)
InChIKeyQVKWVIDEIFNZMF-UHFFFAOYSA-N
MW319.49 g/mol
LogP4.79
Rot. Bonds10

About 2-(2,4-dimethylphenoxy)-N-(2-methylpropyl)octanamide

2-(2,4-dimethylphenoxy)-N-(2-methylpropyl)octanamide (PubChem CID 54249044) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-(2-methylpropyl)octanamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-(2-methylpropyl)octanamide
PubChem CID54249044
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC Name2-(2,4-dimethylphenoxy)-N-(2-methylpropyl)octanamide
SMILESCCCCCCC(Oc1ccc(C)cc1C)C(=O)NCC(C)C
InChIInChI=1S/C20H33NO2/c1-6-7-8-9-10-19(20(22)21-14-15(2)3)23-18-12-11-16(4)13-17(18)5/h11-13,15,19H,6-10,14H2,1-5H3,(H,21,22)
InChIKeyQVKWVIDEIFNZMF-UHFFFAOYSA-N
XLogP4.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)hexanamide
CID 20665661
2-(2,4-dimethylphenoxy)-N-propylbutanamide
CID 20682013
2-(2,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide
CID 53284304
2-(2,4-dimethylphenoxy)-N-ethylbutanamide
CID 53289122
2-(2,4-dimethylphenoxy)-N-propan-2-ylbutanamide
CID 53289143
7-chloro-6-methyl-2-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazole;2-(2,4-dimethylphenoxy)-N-methyloctanamide
CID 90732244
2-(2,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide
CID 14211244
3-(2-methylbutanoyloxy)propyl 2-(2,4-dimethylphenoxy)hexanoate;pentadec-13-enyl 2-methylbutanoate
CID 91399272
3-(2,4-dimethylphenoxy)pentan-2-one
CID 54360521
2-(2,4-dimethylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 132652207
(2R)-2-(2,4-dimethylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 99133066
N-tert-butyl-2-(2,4-dimethylphenoxy)butanamide
CID 53289145

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-(2-methylpropyl)octanamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-(2-methylpropyl)octanamide (CID 54249044) is 2-(2,4-dimethylphenoxy)-N-(2-methylpropyl)octanamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-(2-methylpropyl)octanamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-(2-methylpropyl)octanamide is CCCCCCC(Oc1ccc(C)cc1C)C(=O)NCC(C)C.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-(2-methylpropyl)octanamide?
The InChIKey is QVKWVIDEIFNZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO2/c1-6-7-8-9-10-19(20(22)21-14-15(2)3)23-18-12-11-16(4)13-17(18)5/h11-13,15,19H,6-10,14H2,1-5H3,(H,21,22).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-(2-methylpropyl)octanamide?
2-(2,4-dimethylphenoxy)-N-(2-methylpropyl)octanamide has a molecular weight of 319.49 g/mol, XLogP of 4.79, 10 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-(2-methylpropyl)octanamide is sourced from PubChem (CID 54249044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).