3-(4-ethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide

C21H27NO2 — CID 108795767

IUPAC3-(4-ethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide
SMILESCCc1ccc(OCCC(=O)NC(C)c2ccc(CC)cc2)cc1
InChIInChI=1S/C21H27NO2/c1-4-17-6-10-19(11-7-17)16(3)22-21(23)14-15-24-20-12-8-18(5-2)9-13-20/h6-13,16H,4-5,14-15H2,1-3H3,(H,22,23)
InChIKeyCRGOBRUUIWYDRM-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.46
Rot. Bonds8

About 3-(4-ethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide

3-(4-ethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide (PubChem CID 108795767) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 3-(4-ethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-ethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide
PubChem CID108795767
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name3-(4-ethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide
SMILESCCc1ccc(OCCC(=O)NC(C)c2ccc(CC)cc2)cc1
InChIInChI=1S/C21H27NO2/c1-4-17-6-10-19(11-7-17)16(3)22-21(23)14-15-24-20-12-8-18(5-2)9-13-20/h6-13,16H,4-5,14-15H2,1-3H3,(H,22,23)
InChIKeyCRGOBRUUIWYDRM-UHFFFAOYSA-N
XLogP4.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-ethylphenyl)ethyl]-4-phenoxybutanamide
CID 100521099
4-(4-acetylphenoxy)-N-[1-(4-ethylphenyl)ethyl]butanamide
CID 112762237
3-(4-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 43060182
N-[1-(4-ethylphenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 110876929
N-[1-(4-ethylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 17326918
2-(4-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 26561037
2-(4-ethylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 26561038
N-[1-(4-ethylphenyl)ethyl]-2-phenoxyacetamide
CID 17326821
2-(4-ethylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 28721742
5-[1-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid
CID 60662045
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 4-ethoxybenzoate
CID 8580616
N-[1-(4-ethylphenyl)ethyl]-2-phenylacetamide
CID 2854113

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide?
The IUPAC name of 3-(4-ethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide (CID 108795767) is 3-(4-ethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-ethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(4-ethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide is CCc1ccc(OCCC(=O)NC(C)c2ccc(CC)cc2)cc1.
What is the InChIKey of 3-(4-ethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide?
The InChIKey is CRGOBRUUIWYDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-4-17-6-10-19(11-7-17)16(3)22-21(23)14-15-24-20-12-8-18(5-2)9-13-20/h6-13,16H,4-5,14-15H2,1-3H3,(H,22,23).
What are the key properties of 3-(4-ethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide?
3-(4-ethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide has a molecular weight of 325.45 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide is sourced from PubChem (CID 108795767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).