2-(2,4-dimethylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide

C21H27NO3 — CID 132652207

IUPAC2-(2,4-dimethylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide
SMILESCCC(Oc1ccc(C)cc1C)C(=O)NCCOc1ccc(C)cc1
InChIInChI=1S/C21H27NO3/c1-5-19(25-20-11-8-16(3)14-17(20)4)21(23)22-12-13-24-18-9-6-15(2)7-10-18/h6-11,14,19H,5,12-13H2,1-4H3,(H,22,23)
InChIKeyLCQXTXYGWKUBTI-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.96
Rot. Bonds8

About 2-(2,4-dimethylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide

2-(2,4-dimethylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide (PubChem CID 132652207) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide
PubChem CID132652207
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name2-(2,4-dimethylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide
SMILESCCC(Oc1ccc(C)cc1C)C(=O)NCCOc1ccc(C)cc1
InChIInChI=1S/C21H27NO3/c1-5-19(25-20-11-8-16(3)14-17(20)4)21(23)22-12-13-24-18-9-6-15(2)7-10-18/h6-11,14,19H,5,12-13H2,1-4H3,(H,22,23)
InChIKeyLCQXTXYGWKUBTI-UHFFFAOYSA-N
XLogP3.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dimethylphenoxy)-N-propylbutanamide
CID 20682013
2-(2,4-dimethylphenoxy)-N-ethylbutanamide
CID 53289122
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methylphenoxy)butanamide
CID 133211143
2-(4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 133211130
(2S)-2-(2,4-dimethylphenoxy)-N-(4-ethoxyphenyl)butanamide
CID 99133137
2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)butanamide
CID 53288910
(2R)-N-[2-(2,4-dimethylphenoxy)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 100558238
2-(3,4-dimethylphenoxy)-N-(2-phenoxyethyl)butanamide
CID 133240011
2-(2-methylphenoxy)-N-[2-(4-propylphenoxy)ethyl]butanamide
CID 133239906
2-(2,4-dimethylphenoxy)-N-propan-2-ylbutanamide
CID 53289143
2-(2,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide
CID 14211244
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-(4-methylphenoxy)ethyl]butanamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide (CID 132652207) is 2-(2,4-dimethylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide is CCC(Oc1ccc(C)cc1C)C(=O)NCCOc1ccc(C)cc1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide?
The InChIKey is LCQXTXYGWKUBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-5-19(25-20-11-8-16(3)14-17(20)4)21(23)22-12-13-24-18-9-6-15(2)7-10-18/h6-11,14,19H,5,12-13H2,1-4H3,(H,22,23).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide?
2-(2,4-dimethylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide has a molecular weight of 341.45 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide is sourced from PubChem (CID 132652207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).