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

C21H25NO3 — CID 53266435

IUPACN-(4-acetylphenyl)-2-(2-tert-butylphenoxy)propanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)Oc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C21H25NO3/c1-14(23)16-10-12-17(13-11-16)22-20(24)15(2)25-19-9-7-6-8-18(19)21(3,4)5/h6-13,15H,1-5H3,(H,22,24)
InChIKeyIPEAHSBXTASKFN-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.59
Rot. Bonds5

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

N-(4-acetylphenyl)-2-(2-tert-butylphenoxy)propanamide (PubChem CID 53266435) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(2-tert-butylphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(2-tert-butylphenoxy)propanamide
PubChem CID53266435
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC NameN-(4-acetylphenyl)-2-(2-tert-butylphenoxy)propanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)Oc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C21H25NO3/c1-14(23)16-10-12-17(13-11-16)22-20(24)15(2)25-19-9-7-6-8-18(19)21(3,4)5/h6-13,15H,1-5H3,(H,22,24)
InChIKeyIPEAHSBXTASKFN-UHFFFAOYSA-N
XLogP4.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 4-[2-(2-tert-butylphenoxy)propanoylamino]benzoate
CID 53266510
(2R)-N-(4-acetylphenyl)-2-(2-ethoxyphenoxy)propanamide
CID 7840850
(2S)-N-(4-acetylphenyl)-2-(2-ethoxyphenoxy)propanamide
CID 7840848
2-(2-tert-butylphenoxy)-N-(4-butylphenyl)propanamide
CID 53266516
2-(2-tert-butylphenoxy)-N-(3-methylphenyl)propanamide
CID 53266482
2-(2-tert-butylphenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 53266361
2-(2-tert-butylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 53266521
N-(4-acetamidophenyl)-2-(2-methoxyphenoxy)propanamide
CID 2907980
[4-(phenylcarbamoyl)phenyl] 2-(2-tert-butylphenoxy)propanoate
CID 53266389
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2-tert-butylphenoxy)propanoate
CID 53266390
methyl 4-[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]benzoate
CID 886076
4-[2-(2-methoxyphenoxy)propanoylamino]benzamide
CID 4943131

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(2-tert-butylphenoxy)propanamide?
The IUPAC name of N-(4-acetylphenyl)-2-(2-tert-butylphenoxy)propanamide (CID 53266435) is N-(4-acetylphenyl)-2-(2-tert-butylphenoxy)propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(2-tert-butylphenoxy)propanamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(2-tert-butylphenoxy)propanamide is CC(=O)c1ccc(NC(=O)C(C)Oc2ccccc2C(C)(C)C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(2-tert-butylphenoxy)propanamide?
The InChIKey is IPEAHSBXTASKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-14(23)16-10-12-17(13-11-16)22-20(24)15(2)25-19-9-7-6-8-18(19)21(3,4)5/h6-13,15H,1-5H3,(H,22,24).
What are the key properties of N-(4-acetylphenyl)-2-(2-tert-butylphenoxy)propanamide?
N-(4-acetylphenyl)-2-(2-tert-butylphenoxy)propanamide has a molecular weight of 339.44 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(2-tert-butylphenoxy)propanamide is sourced from PubChem (CID 53266435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).