2-(4-tert-butylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide

C23H31NO2 — CID 92685438

IUPAC2-(4-tert-butylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
SMILESCC(C)C[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C23H31NO2/c1-17(2)15-21(18-9-7-6-8-10-18)24-22(25)16-26-20-13-11-19(12-14-20)23(3,4)5/h6-14,17,21H,15-16H2,1-5H3,(H,24,25)/t21-/m1/s1
InChIKeyWAEIQFQGXOGJDD-OAQYLSRUSA-N
MW353.51 g/mol
LogP5.27
Rot. Bonds7

About 2-(4-tert-butylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide

2-(4-tert-butylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide (PubChem CID 92685438) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
PubChem CID92685438
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Name2-(4-tert-butylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
SMILESCC(C)C[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C23H31NO2/c1-17(2)15-21(18-9-7-6-8-10-18)24-22(25)16-26-20-13-11-19(12-14-20)23(3,4)5/h6-14,17,21H,15-16H2,1-5H3,(H,24,25)/t21-/m1/s1
InChIKeyWAEIQFQGXOGJDD-OAQYLSRUSA-N
XLogP5.27
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 ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 94870263
2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 99952985
2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-(3-methyl-1-phenylbutyl)acetamide
CID 132947658
2-[[2-(4-tert-butylphenoxy)acetyl]amino]propanoic acid
CID 16641722
2-(2-methoxyphenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 28958838
2-(4-tert-butylphenoxy)-N-(2,4-dimethylpentan-3-yl)acetamide
CID 53283030
2-(3,5-dimethoxyphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 94016682
N-[(1R)-2-hydroxy-1-phenylethyl]-2-phenoxyacetamide
CID 39370051
N-(3-methyl-1-phenylbutyl)-2-phenylmethoxyacetamide
CID 55371721
2-(4-methoxyphenoxy)-N-(1-phenylpropyl)acetamide
CID 17328005
N-(1-hydroxy-4-methylpentan-2-yl)-2-phenoxyacetamide
CID 61245289
(3R)-3-(4-tert-butylphenyl)-3-[[2-(4-methoxyphenoxy)acetyl]amino]propanoate
CID 7045013

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide (CID 92685438) is 2-(4-tert-butylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide is CC(C)C[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccccc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide?
The InChIKey is WAEIQFQGXOGJDD-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H31NO2/c1-17(2)15-21(18-9-7-6-8-10-18)24-22(25)16-26-20-13-11-19(12-14-20)23(3,4)5/h6-14,17,21H,15-16H2,1-5H3,(H,24,25)/t21-/m1/s1.
What are the key properties of 2-(4-tert-butylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide?
2-(4-tert-butylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide has a molecular weight of 353.51 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide is sourced from PubChem (CID 92685438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).