3-(2-ethoxyphenyl)-N-[1-(4-ethylphenyl)ethyl]propanamide

C21H27NO2 — CID 134049400

IUPAC3-(2-ethoxyphenyl)-N-[1-(4-ethylphenyl)ethyl]propanamide
SMILESCCOc1ccccc1CCC(=O)NC(C)c1ccc(CC)cc1
InChIInChI=1S/C21H27NO2/c1-4-17-10-12-18(13-11-17)16(3)22-21(23)15-14-19-8-6-7-9-20(19)24-5-2/h6-13,16H,4-5,14-15H2,1-3H3,(H,22,23)
InChIKeyNYJPWGMOCJLGIN-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.46
Rot. Bonds8

About 3-(2-ethoxyphenyl)-N-[1-(4-ethylphenyl)ethyl]propanamide

3-(2-ethoxyphenyl)-N-[1-(4-ethylphenyl)ethyl]propanamide (PubChem CID 134049400) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-N-[1-(4-ethylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-N-[1-(4-ethylphenyl)ethyl]propanamide
PubChem CID134049400
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name3-(2-ethoxyphenyl)-N-[1-(4-ethylphenyl)ethyl]propanamide
SMILESCCOc1ccccc1CCC(=O)NC(C)c1ccc(CC)cc1
InChIInChI=1S/C21H27NO2/c1-4-17-10-12-18(13-11-17)16(3)22-21(23)15-14-19-8-6-7-9-20(19)24-5-2/h6-13,16H,4-5,14-15H2,1-3H3,(H,22,23)
InChIKeyNYJPWGMOCJLGIN-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-[1-(4-ethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)propanamide
CID 51292726
N-(1-aminopropan-2-yl)-3-(2-ethoxyphenyl)propanamide
CID 110833199
N-[1-(4-ethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 127122521
3-(2,6-dichlorophenyl)-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 133225048
3-(2-ethoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 9264272
N-[1-(4-ethylphenyl)ethyl]-2-phenylacetamide
CID 2854113
3-(3,4-diethoxyphenyl)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 30389269
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-phenoxybutanamide
CID 100521099
2-[3-(2-ethoxyphenyl)propanoylamino]-3-hydroxypropanoic acid
CID 43171627
3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83029751
2-(2-bromophenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 17326940
3-(4-ethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 108795767

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-N-[1-(4-ethylphenyl)ethyl]propanamide?
The IUPAC name of 3-(2-ethoxyphenyl)-N-[1-(4-ethylphenyl)ethyl]propanamide (CID 134049400) is 3-(2-ethoxyphenyl)-N-[1-(4-ethylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2-ethoxyphenyl)-N-[1-(4-ethylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(2-ethoxyphenyl)-N-[1-(4-ethylphenyl)ethyl]propanamide is CCOc1ccccc1CCC(=O)NC(C)c1ccc(CC)cc1.
What is the InChIKey of 3-(2-ethoxyphenyl)-N-[1-(4-ethylphenyl)ethyl]propanamide?
The InChIKey is NYJPWGMOCJLGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-4-17-10-12-18(13-11-17)16(3)22-21(23)15-14-19-8-6-7-9-20(19)24-5-2/h6-13,16H,4-5,14-15H2,1-3H3,(H,22,23).
What are the key properties of 3-(2-ethoxyphenyl)-N-[1-(4-ethylphenyl)ethyl]propanamide?
3-(2-ethoxyphenyl)-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-(2-ethoxyphenyl)-N-[1-(4-ethylphenyl)ethyl]propanamide is sourced from PubChem (CID 134049400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).