2-(2,4-dimethylphenoxy)-N-propylbutanamide

C15H23NO2 — CID 20682013

IUPAC2-(2,4-dimethylphenoxy)-N-propylbutanamide
SMILESCCCNC(=O)C(CC)Oc1ccc(C)cc1C
InChIInChI=1S/C15H23NO2/c1-5-9-16-15(17)13(6-2)18-14-8-7-11(3)10-12(14)4/h7-8,10,13H,5-6,9H2,1-4H3,(H,16,17)
InChIKeyBTTISOOFWRACRV-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.99
Rot. Bonds6

About 2-(2,4-dimethylphenoxy)-N-propylbutanamide

2-(2,4-dimethylphenoxy)-N-propylbutanamide (PubChem CID 20682013) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-propylbutanamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-propylbutanamide
PubChem CID20682013
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-(2,4-dimethylphenoxy)-N-propylbutanamide
SMILESCCCNC(=O)C(CC)Oc1ccc(C)cc1C
InChIInChI=1S/C15H23NO2/c1-5-9-16-15(17)13(6-2)18-14-8-7-11(3)10-12(14)4/h7-8,10,13H,5-6,9H2,1-4H3,(H,16,17)
InChIKeyBTTISOOFWRACRV-UHFFFAOYSA-N
XLogP2.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethylphenoxy)-N-ethylbutanamide
CID 53289122
2-(2,4-dimethylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 132652207
2-(2,4-dimethylphenoxy)-N-propan-2-ylbutanamide
CID 53289143
2-(2,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide
CID 14211244
2-(2-methylphenoxy)-N-propylbutanamide
CID 43909851
(2R)-2-(2,4-dimethylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 99133066
N-tert-butyl-2-(2,4-dimethylphenoxy)butanamide
CID 53289145
2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)butanamide
CID 53288910
(2R)-2-(2,4-dimethylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 99133094
3-(2,4-dimethylphenoxy)pentan-2-one
CID 54360521
2-(2,4-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 53288935
2-(2,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide
CID 53284304

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-propylbutanamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-propylbutanamide (CID 20682013) is 2-(2,4-dimethylphenoxy)-N-propylbutanamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-propylbutanamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-propylbutanamide is CCCNC(=O)C(CC)Oc1ccc(C)cc1C.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-propylbutanamide?
The InChIKey is BTTISOOFWRACRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-9-16-15(17)13(6-2)18-14-8-7-11(3)10-12(14)4/h7-8,10,13H,5-6,9H2,1-4H3,(H,16,17).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-propylbutanamide?
2-(2,4-dimethylphenoxy)-N-propylbutanamide has a molecular weight of 249.35 g/mol, XLogP of 2.99, 6 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-propylbutanamide is sourced from PubChem (CID 20682013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).