2-(4-bromo-2,6-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide

C20H24BrNO2 — CID 4960970

IUPAC2-(4-bromo-2,6-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(C)Oc2c(C)cc(Br)cc2C)c(C)c1
InChIInChI=1S/C20H24BrNO2/c1-11-7-12(2)18(13(3)8-11)22-20(23)16(6)24-19-14(4)9-17(21)10-15(19)5/h7-10,16H,1-6H3,(H,22,23)
InChIKeyMZOSINFJLPKBCN-UHFFFAOYSA-N
MW390.32 g/mol
LogP5.40
Rot. Bonds4

About 2-(4-bromo-2,6-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide

2-(4-bromo-2,6-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 4960970) has the molecular formula C20H24BrNO2 and a molecular weight of 390.32 g/mol. Its IUPAC name is 2-(4-bromo-2,6-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-bromo-2,6-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID4960970
Molecular FormulaC20H24BrNO2
Molecular Weight390.32 g/mol
Exact Mass389.10
IUPAC Name2-(4-bromo-2,6-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(C)Oc2c(C)cc(Br)cc2C)c(C)c1
InChIInChI=1S/C20H24BrNO2/c1-11-7-12(2)18(13(3)8-11)22-20(23)16(6)24-19-14(4)9-17(21)10-15(19)5/h7-10,16H,1-6H3,(H,22,23)
InChIKeyMZOSINFJLPKBCN-UHFFFAOYSA-N
XLogP5.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.32
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-2-(4-bromo-2,6-dimethylphenoxy)propanamide
CID 4960935
2-(4-bromo-2,6-dimethylphenoxy)-N-[2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]ethyl]propanamide
CID 4961209
2-(3,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 53266252
(2S)-2-(4-bromo-2-formylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 7820119
(2S)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 837680
(2R)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 837681
(2R)-2-[2-iodo-5-methyl-3-[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]oxyphenoxy]-N-(2,4,6-trimethylphenyl)propanamide
CID 52916896
[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(2,4,6-trimethylphenoxy)acetate
CID 7997778
(2S)-2-(4-bromo-2,6-dimethylphenoxy)propanamide
CID 40771290
2-(2-amino-4-bromo-6-methylphenoxy)-N-methylpropanamide
CID 79842993
2-(2,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 4944710
[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 4-bromobenzoate
CID 7478049

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide (CID 4960970) is 2-(4-bromo-2,6-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 2-(4-bromo-2,6-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 2-(4-bromo-2,6-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide is Cc1cc(C)c(NC(=O)C(C)Oc2c(C)cc(Br)cc2C)c(C)c1.
What is the InChIKey of 2-(4-bromo-2,6-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is MZOSINFJLPKBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO2/c1-11-7-12(2)18(13(3)8-11)22-20(23)16(6)24-19-14(4)9-17(21)10-15(19)5/h7-10,16H,1-6H3,(H,22,23).
What are the key properties of 2-(4-bromo-2,6-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide?
2-(4-bromo-2,6-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 390.32 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,6-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 4960970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).