N-(4-butylphenyl)-3-(4-ethylphenoxy)propanamide

C21H27NO2 — CID 108795729

IUPACN-(4-butylphenyl)-3-(4-ethylphenoxy)propanamide
SMILESCCCCc1ccc(NC(=O)CCOc2ccc(CC)cc2)cc1
InChIInChI=1S/C21H27NO2/c1-3-5-6-18-7-11-19(12-8-18)22-21(23)15-16-24-20-13-9-17(4-2)10-14-20/h7-14H,3-6,15-16H2,1-2H3,(H,22,23)
InChIKeyRZBYPVGIRIJJMP-UHFFFAOYSA-N
MW325.45 g/mol
LogP5.00
Rot. Bonds9

About N-(4-butylphenyl)-3-(4-ethylphenoxy)propanamide

N-(4-butylphenyl)-3-(4-ethylphenoxy)propanamide (PubChem CID 108795729) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-(4-butylphenyl)-3-(4-ethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-3-(4-ethylphenoxy)propanamide
PubChem CID108795729
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC NameN-(4-butylphenyl)-3-(4-ethylphenoxy)propanamide
SMILESCCCCc1ccc(NC(=O)CCOc2ccc(CC)cc2)cc1
InChIInChI=1S/C21H27NO2/c1-3-5-6-18-7-11-19(12-8-18)22-21(23)15-16-24-20-13-9-17(4-2)10-14-20/h7-14H,3-6,15-16H2,1-2H3,(H,22,23)
InChIKeyRZBYPVGIRIJJMP-UHFFFAOYSA-N
XLogP5.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-ethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 19173503
3-(4-fluorophenoxy)-N-(4-propylphenyl)propanamide
CID 112816800
N-(4-butoxyphenyl)butanamide
CID 4939679
butyl 4-[4-(4-ethylphenoxy)butanoylamino]benzoate
CID 19173521
3-(4-chlorophenyl)-N-(4-pentoxyphenyl)propanamide
CID 19220836
propan-2-yl 4-[3-(4-ethylphenoxy)propanoylamino]benzoate
CID 108807279
3-(4-aminophenyl)-N-(4-hexoxyphenyl)propanamide
CID 54795325
2-[4-[3-(4-octadecoxyphenyl)propanoylamino]phenyl]acetic acid
CID 139918168
[4-[3-(4-ethylphenoxy)propanoylamino]phenyl] thiocyanate
CID 108795847
N-(4-decoxyphenyl)butanamide
CID 143303175
3-[4-[3-(4-propoxyphenyl)propanoylamino]phenyl]propanoic acid
CID 119252286
1-(4-butylphenyl)-3-(4-ethylphenyl)urea
CID 4616049

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-3-(4-ethylphenoxy)propanamide?
The IUPAC name of N-(4-butylphenyl)-3-(4-ethylphenoxy)propanamide (CID 108795729) is N-(4-butylphenyl)-3-(4-ethylphenoxy)propanamide.
What is the SMILES notation for N-(4-butylphenyl)-3-(4-ethylphenoxy)propanamide?
The canonical SMILES for N-(4-butylphenyl)-3-(4-ethylphenoxy)propanamide is CCCCc1ccc(NC(=O)CCOc2ccc(CC)cc2)cc1.
What is the InChIKey of N-(4-butylphenyl)-3-(4-ethylphenoxy)propanamide?
The InChIKey is RZBYPVGIRIJJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-3-5-6-18-7-11-19(12-8-18)22-21(23)15-16-24-20-13-9-17(4-2)10-14-20/h7-14H,3-6,15-16H2,1-2H3,(H,22,23).
What are the key properties of N-(4-butylphenyl)-3-(4-ethylphenoxy)propanamide?
N-(4-butylphenyl)-3-(4-ethylphenoxy)propanamide has a molecular weight of 325.45 g/mol, XLogP of 5.00, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-3-(4-ethylphenoxy)propanamide is sourced from PubChem (CID 108795729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).