2-(2,4-dimethylphenoxy)-N-propan-2-ylbutanamide

C15H23NO2 — CID 53289143

IUPAC2-(2,4-dimethylphenoxy)-N-propan-2-ylbutanamide
SMILESCCC(Oc1ccc(C)cc1C)C(=O)NC(C)C
InChIInChI=1S/C15H23NO2/c1-6-13(15(17)16-10(2)3)18-14-8-7-11(4)9-12(14)5/h7-10,13H,6H2,1-5H3,(H,16,17)
InChIKeyNZWDHVDKSKNCHG-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.99
Rot. Bonds5

About 2-(2,4-dimethylphenoxy)-N-propan-2-ylbutanamide

2-(2,4-dimethylphenoxy)-N-propan-2-ylbutanamide (PubChem CID 53289143) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-propan-2-ylbutanamide
PubChem CID53289143
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-(2,4-dimethylphenoxy)-N-propan-2-ylbutanamide
SMILESCCC(Oc1ccc(C)cc1C)C(=O)NC(C)C
InChIInChI=1S/C15H23NO2/c1-6-13(15(17)16-10(2)3)18-14-8-7-11(4)9-12(14)5/h7-10,13H,6H2,1-5H3,(H,16,17)
InChIKeyNZWDHVDKSKNCHG-UHFFFAOYSA-N
XLogP2.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

Analyze 2-(2,4-dimethylphenoxy)-N-propan-2-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 99133147
2-(2,4-dimethylphenoxy)-N-ethylbutanamide
CID 53289122
2-(2,4-dimethylphenoxy)-N-propylbutanamide
CID 20682013
2-(2,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 53289006
2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)butanamide
CID 53288910
N-tert-butyl-2-(2,4-dimethylphenoxy)butanamide
CID 53289145
(2R)-2-(2,4-dimethylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 99133066
3-(2,4-dimethylphenoxy)pentan-2-one
CID 54360521
2-(2,4-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 53288935
(2R)-2-(2,4-dimethylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 99133094
2-(2,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 132651179
(2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)butanamide
CID 92682866

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-propan-2-ylbutanamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-propan-2-ylbutanamide (CID 53289143) is 2-(2,4-dimethylphenoxy)-N-propan-2-ylbutanamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-propan-2-ylbutanamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-propan-2-ylbutanamide is CCC(Oc1ccc(C)cc1C)C(=O)NC(C)C.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-propan-2-ylbutanamide?
The InChIKey is NZWDHVDKSKNCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-6-13(15(17)16-10(2)3)18-14-8-7-11(4)9-12(14)5/h7-10,13H,6H2,1-5H3,(H,16,17).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-propan-2-ylbutanamide?
2-(2,4-dimethylphenoxy)-N-propan-2-ylbutanamide has a molecular weight of 249.35 g/mol, XLogP of 2.99, 5 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-propan-2-ylbutanamide is sourced from PubChem (CID 53289143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).