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

C21H27NO3 — CID 133239783

IUPACN-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-ethylphenoxy)propanamide
SMILESCCc1ccccc1OC(C)C(=O)NCCOc1ccc(C)cc1C
InChIInChI=1S/C21H27NO3/c1-5-18-8-6-7-9-20(18)25-17(4)21(23)22-12-13-24-19-11-10-15(2)14-16(19)3/h6-11,14,17H,5,12-13H2,1-4H3,(H,22,23)
InChIKeyNFYOHUXGGFUHRI-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.83
Rot. Bonds8

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

N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-ethylphenoxy)propanamide (PubChem CID 133239783) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-ethylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-ethylphenoxy)propanamide
PubChem CID133239783
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC NameN-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-ethylphenoxy)propanamide
SMILESCCc1ccccc1OC(C)C(=O)NCCOc1ccc(C)cc1C
InChIInChI=1S/C21H27NO3/c1-5-18-8-6-7-9-20(18)25-17(4)21(23)22-12-13-24-19-11-10-15(2)14-16(19)3/h6-11,14,17H,5,12-13H2,1-4H3,(H,22,23)
InChIKeyNFYOHUXGGFUHRI-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-(2,5-dimethylphenoxy)ethyl]-2-(2-methylphenoxy)propanamide
CID 133166083
2-(2-ethylphenoxy)-N-(2-phenoxyethyl)propanamide
CID 133239770
(2R)-2-(2,4-dimethylphenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 124561460
2-(2-ethylphenoxy)-N-(2-methoxyethyl)propanamide
CID 53284936
(2S)-N-(2,5-dimethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 94011869
2-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 43915467
(2R)-N-[2-(2,4-dimethylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100558042
(2S)-N-[2-(2-methylphenoxy)ethyl]-2-phenoxypropanamide
CID 94633957
(2S)-2-(2-ethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide
CID 99959864
(2R)-N-[2-(2-methoxyphenoxy)ethyl]-2-(3-methylphenoxy)propanamide
CID 38451380
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 18198635
N-[(3,4-diethoxyphenyl)methyl]-2-(2-ethylphenoxy)propanamide
CID 43907670

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-ethylphenoxy)propanamide?
The IUPAC name of N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-ethylphenoxy)propanamide (CID 133239783) is N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-ethylphenoxy)propanamide.
What is the SMILES notation for N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-ethylphenoxy)propanamide?
The canonical SMILES for N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-ethylphenoxy)propanamide is CCc1ccccc1OC(C)C(=O)NCCOc1ccc(C)cc1C.
What is the InChIKey of N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-ethylphenoxy)propanamide?
The InChIKey is NFYOHUXGGFUHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-5-18-8-6-7-9-20(18)25-17(4)21(23)22-12-13-24-19-11-10-15(2)14-16(19)3/h6-11,14,17H,5,12-13H2,1-4H3,(H,22,23).
What are the key properties of N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-ethylphenoxy)propanamide?
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-ethylphenoxy)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 N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-ethylphenoxy)propanamide is sourced from PubChem (CID 133239783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).