2-(2-bromo-4-propan-2-ylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide

C23H30BrNO3 — CID 28635212

IUPAC2-(2-bromo-4-propan-2-ylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
SMILESCOc1ccc([C@@H](CC(C)C)NC(=O)COc2ccc(C(C)C)cc2Br)cc1
InChIInChI=1S/C23H30BrNO3/c1-15(2)12-21(17-6-9-19(27-5)10-7-17)25-23(26)14-28-22-11-8-18(16(3)4)13-20(22)24/h6-11,13,15-16,21H,12,14H2,1-5H3,(H,25,26)/t21-/m1/s1
InChIKeyYTMBYDZVOMPRKB-OAQYLSRUSA-N
MW448.40 g/mol
LogP5.86
Rot. Bonds9

About 2-(2-bromo-4-propan-2-ylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide

2-(2-bromo-4-propan-2-ylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide (PubChem CID 28635212) has the molecular formula C23H30BrNO3 and a molecular weight of 448.40 g/mol. Its IUPAC name is 2-(2-bromo-4-propan-2-ylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-propan-2-ylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
PubChem CID28635212
Molecular FormulaC23H30BrNO3
Molecular Weight448.40 g/mol
Exact Mass447.14
IUPAC Name2-(2-bromo-4-propan-2-ylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
SMILESCOc1ccc([C@@H](CC(C)C)NC(=O)COc2ccc(C(C)C)cc2Br)cc1
InChIInChI=1S/C23H30BrNO3/c1-15(2)12-21(17-6-9-19(27-5)10-7-17)25-23(26)14-28-22-11-8-18(16(3)4)13-20(22)24/h6-11,13,15-16,21H,12,14H2,1-5H3,(H,25,26)/t21-/m1/s1
InChIKeyYTMBYDZVOMPRKB-OAQYLSRUSA-N
XLogP5.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.40
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-bromo-4-propan-2-ylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide with MolForge

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Related Compounds

2-(2-bromo-4-ethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 93487665
2-(3,5-dimethoxyphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 94016682
2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 94011986
2-(4-bromo-3,5-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 92679472
2-(2-bromo-4-propan-2-ylphenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 19201682
2-(2-bromo-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 19202796
2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 92685783
2-(2-bromo-4-fluorophenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 18115468
2-(4-chloro-3-methylphenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 46778602
2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 28958551
(2S)-2-[[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100719323
2-(2-bromo-4-propan-2-ylphenoxy)acetamide
CID 894118

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-propan-2-ylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide?
The IUPAC name of 2-(2-bromo-4-propan-2-ylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide (CID 28635212) is 2-(2-bromo-4-propan-2-ylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-propan-2-ylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-propan-2-ylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide is COc1ccc([C@@H](CC(C)C)NC(=O)COc2ccc(C(C)C)cc2Br)cc1.
What is the InChIKey of 2-(2-bromo-4-propan-2-ylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide?
The InChIKey is YTMBYDZVOMPRKB-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H30BrNO3/c1-15(2)12-21(17-6-9-19(27-5)10-7-17)25-23(26)14-28-22-11-8-18(16(3)4)13-20(22)24/h6-11,13,15-16,21H,12,14H2,1-5H3,(H,25,26)/t21-/m1/s1.
What are the key properties of 2-(2-bromo-4-propan-2-ylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide?
2-(2-bromo-4-propan-2-ylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide has a molecular weight of 448.40 g/mol, XLogP of 5.86, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-propan-2-ylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide is sourced from PubChem (CID 28635212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).