2-(2-tert-butylphenoxy)-N-(4-butylphenyl)propanamide

C23H31NO2 — CID 53266516

IUPAC2-(2-tert-butylphenoxy)-N-(4-butylphenyl)propanamide
SMILESCCCCc1ccc(NC(=O)C(C)Oc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C23H31NO2/c1-6-7-10-18-13-15-19(16-14-18)24-22(25)17(2)26-21-12-9-8-11-20(21)23(3,4)5/h8-9,11-17H,6-7,10H2,1-5H3,(H,24,25)
InChIKeyWUDIWGIHUKJUCH-UHFFFAOYSA-N
MW353.51 g/mol
LogP5.73
Rot. Bonds7

About 2-(2-tert-butylphenoxy)-N-(4-butylphenyl)propanamide

2-(2-tert-butylphenoxy)-N-(4-butylphenyl)propanamide (PubChem CID 53266516) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N-(4-butylphenyl)propanamide.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N-(4-butylphenyl)propanamide
PubChem CID53266516
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Name2-(2-tert-butylphenoxy)-N-(4-butylphenyl)propanamide
SMILESCCCCc1ccc(NC(=O)C(C)Oc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C23H31NO2/c1-6-7-10-18-13-15-19(16-14-18)24-22(25)17(2)26-21-12-9-8-11-20(21)23(3,4)5/h8-9,11-17H,6-7,10H2,1-5H3,(H,24,25)
InChIKeyWUDIWGIHUKJUCH-UHFFFAOYSA-N
XLogP5.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 43905153
N-(4-acetylphenyl)-2-(2-tert-butylphenoxy)propanamide
CID 53266435
N-(4-butylphenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 53266463
propan-2-yl 4-[2-(2-tert-butylphenoxy)propanoylamino]benzoate
CID 53266510
(2R)-2-(2-tert-butylphenoxy)-3-(4-butylphenyl)propanoic acid
CID 100548911
(2S)-N-(4-butylphenyl)-2-(2,4-dibromophenoxy)propanamide
CID 40736851
(2R)-2-(4-bromophenoxy)-N-(4-butylphenyl)propanamide
CID 94842128
N-(4-butylphenyl)-2-(3-chlorophenoxy)propanamide
CID 2933438
2-(2-tert-butylphenoxy)-N-(3-methylphenyl)propanamide
CID 53266482
propyl 3-[2-(2-tert-butylphenoxy)propanoylamino]benzoate
CID 53266502
2-(2-tert-butylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 53266521
N-[4-[3-(methylamino)-3-oxopropyl]phenyl]-2-(2-methylphenoxy)propanamide
CID 54780693

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-N-(4-butylphenyl)propanamide?
The IUPAC name of 2-(2-tert-butylphenoxy)-N-(4-butylphenyl)propanamide (CID 53266516) is 2-(2-tert-butylphenoxy)-N-(4-butylphenyl)propanamide.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N-(4-butylphenyl)propanamide?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N-(4-butylphenyl)propanamide is CCCCc1ccc(NC(=O)C(C)Oc2ccccc2C(C)(C)C)cc1.
What is the InChIKey of 2-(2-tert-butylphenoxy)-N-(4-butylphenyl)propanamide?
The InChIKey is WUDIWGIHUKJUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2/c1-6-7-10-18-13-15-19(16-14-18)24-22(25)17(2)26-21-12-9-8-11-20(21)23(3,4)5/h8-9,11-17H,6-7,10H2,1-5H3,(H,24,25).
What are the key properties of 2-(2-tert-butylphenoxy)-N-(4-butylphenyl)propanamide?
2-(2-tert-butylphenoxy)-N-(4-butylphenyl)propanamide has a molecular weight of 353.51 g/mol, XLogP of 5.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-N-(4-butylphenyl)propanamide is sourced from PubChem (CID 53266516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).