2-(4-bromo-2,6-dimethylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide

C20H24BrNO3 — CID 54856630

IUPAC2-(4-bromo-2,6-dimethylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide
SMILESCc1cc(Br)cc(C)c1OCC(=O)N(C)C(C)C(O)c1ccccc1
InChIInChI=1S/C20H24BrNO3/c1-13-10-17(21)11-14(2)20(13)25-12-18(23)22(4)15(3)19(24)16-8-6-5-7-9-16/h5-11,15,19,24H,12H2,1-4H3
InChIKeyCDNYFBOAAHTPPX-UHFFFAOYSA-N
MW406.32 g/mol
LogP4.03
Rot. Bonds6

About 2-(4-bromo-2,6-dimethylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide

2-(4-bromo-2,6-dimethylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide (PubChem CID 54856630) has the molecular formula C20H24BrNO3 and a molecular weight of 406.32 g/mol. Its IUPAC name is 2-(4-bromo-2,6-dimethylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2,6-dimethylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide
PubChem CID54856630
Molecular FormulaC20H24BrNO3
Molecular Weight406.32 g/mol
Exact Mass405.09
IUPAC Name2-(4-bromo-2,6-dimethylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide
SMILESCc1cc(Br)cc(C)c1OCC(=O)N(C)C(C)C(O)c1ccccc1
InChIInChI=1S/C20H24BrNO3/c1-13-10-17(21)11-14(2)20(13)25-12-18(23)22(4)15(3)19(24)16-8-6-5-7-9-16/h5-11,15,19,24H,12H2,1-4H3
InChIKeyCDNYFBOAAHTPPX-UHFFFAOYSA-N
XLogP4.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.32
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4,6-dichlorophenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide
CID 54856918
2-(2,3-dimethylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide
CID 54856919
2-(4-chloro-3-methylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide
CID 54856949
2-(2-bromo-4-chlorophenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide
CID 54856930
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(4-phenylphenoxy)acetamide
CID 54856794
2-(3,4-dimethoxy-5-methylphenyl)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
CID 122595148
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 11138684
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(4-nitrophenoxy)acetamide
CID 54856792
5-bromo-2-ethoxy-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide
CID 54856706
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-phenylacetamide
CID 54856748
5-bromo-3-methyl-2-[2-[methyl(propan-2-yl)amino]-2-oxoethoxy]benzenesulfonyl chloride
CID 82911745
(3R)-3-(3,5-dimethoxyphenyl)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 11349310

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide?
The IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide (CID 54856630) is 2-(4-bromo-2,6-dimethylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide.
What is the SMILES notation for 2-(4-bromo-2,6-dimethylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide?
The canonical SMILES for 2-(4-bromo-2,6-dimethylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide is Cc1cc(Br)cc(C)c1OCC(=O)N(C)C(C)C(O)c1ccccc1.
What is the InChIKey of 2-(4-bromo-2,6-dimethylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide?
The InChIKey is CDNYFBOAAHTPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO3/c1-13-10-17(21)11-14(2)20(13)25-12-18(23)22(4)15(3)19(24)16-8-6-5-7-9-16/h5-11,15,19,24H,12H2,1-4H3.
What are the key properties of 2-(4-bromo-2,6-dimethylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide?
2-(4-bromo-2,6-dimethylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide has a molecular weight of 406.32 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,6-dimethylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide is sourced from PubChem (CID 54856630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).