2-(3,4-dimethylphenoxy)-N-[2-(4-ethylphenoxy)ethyl]propanamide

C21H27NO3 — CID 133211029

IUPAC2-(3,4-dimethylphenoxy)-N-[2-(4-ethylphenoxy)ethyl]propanamide
SMILESCCc1ccc(OCCNC(=O)C(C)Oc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C21H27NO3/c1-5-18-7-10-19(11-8-18)24-13-12-22-21(23)17(4)25-20-9-6-15(2)16(3)14-20/h6-11,14,17H,5,12-13H2,1-4H3,(H,22,23)
InChIKeySTQHDOMQGMLXSB-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.83
Rot. Bonds8

About 2-(3,4-dimethylphenoxy)-N-[2-(4-ethylphenoxy)ethyl]propanamide

2-(3,4-dimethylphenoxy)-N-[2-(4-ethylphenoxy)ethyl]propanamide (PubChem CID 133211029) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[2-(4-ethylphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[2-(4-ethylphenoxy)ethyl]propanamide
PubChem CID133211029
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name2-(3,4-dimethylphenoxy)-N-[2-(4-ethylphenoxy)ethyl]propanamide
SMILESCCc1ccc(OCCNC(=O)C(C)Oc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C21H27NO3/c1-5-18-7-10-19(11-8-18)24-13-12-22-21(23)17(4)25-20-9-6-15(2)16(3)14-20/h6-11,14,17H,5,12-13H2,1-4H3,(H,22,23)
InChIKeySTQHDOMQGMLXSB-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
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

N-[2-(4-ethylphenoxy)ethyl]-2-naphthalen-2-yloxypropanamide
CID 133164555
N-[2-(3,4-dimethylphenoxy)ethyl]-2-phenoxypropanamide
CID 133210994
2-(3,4-dimethylphenoxy)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]propanamide
CID 133240516
2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide
CID 133211025
2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 132652833
N-[2-(3,4-dimethylphenoxy)ethyl]-2-(2-methoxyphenoxy)propanamide
CID 133211011
(2R)-2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide
CID 9180877
N-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)propanamide
CID 132655758
N-[2-(4-ethylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133234673
N-[2-(3,4-dimethylphenoxy)ethyl]-2-ethylbutanamide
CID 113101021
2-(2-methylphenoxy)-N-[2-(4-propylphenoxy)ethyl]propanamide
CID 133239751
N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-methylphenoxy)propanamide
CID 133240246

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[2-(4-ethylphenoxy)ethyl]propanamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[2-(4-ethylphenoxy)ethyl]propanamide (CID 133211029) is 2-(3,4-dimethylphenoxy)-N-[2-(4-ethylphenoxy)ethyl]propanamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[2-(4-ethylphenoxy)ethyl]propanamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[2-(4-ethylphenoxy)ethyl]propanamide is CCc1ccc(OCCNC(=O)C(C)Oc2ccc(C)c(C)c2)cc1.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[2-(4-ethylphenoxy)ethyl]propanamide?
The InChIKey is STQHDOMQGMLXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-5-18-7-10-19(11-8-18)24-13-12-22-21(23)17(4)25-20-9-6-15(2)16(3)14-20/h6-11,14,17H,5,12-13H2,1-4H3,(H,22,23).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[2-(4-ethylphenoxy)ethyl]propanamide?
2-(3,4-dimethylphenoxy)-N-[2-(4-ethylphenoxy)ethyl]propanamide has a molecular weight of 341.45 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[2-(4-ethylphenoxy)ethyl]propanamide is sourced from PubChem (CID 133211029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).