2-(4-bromo-2,6-dimethylphenoxy)-N-[3-[(2-phenoxyacetyl)amino]phenyl]propanamide

C25H25BrN2O4 — CID 17231402

IUPAC2-(4-bromo-2,6-dimethylphenoxy)-N-[3-[(2-phenoxyacetyl)amino]phenyl]propanamide
SMILESCc1cc(Br)cc(C)c1OC(C)C(=O)Nc1cccc(NC(=O)COc2ccccc2)c1
InChIInChI=1S/C25H25BrN2O4/c1-16-12-19(26)13-17(2)24(16)32-18(3)25(30)28-21-9-7-8-20(14-21)27-23(29)15-31-22-10-5-4-6-11-22/h4-14,18H,15H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyYAUNQVHWLZTUOW-UHFFFAOYSA-N
MW497.39 g/mol
LogP5.49
Rot. Bonds8

About 2-(4-bromo-2,6-dimethylphenoxy)-N-[3-[(2-phenoxyacetyl)amino]phenyl]propanamide

2-(4-bromo-2,6-dimethylphenoxy)-N-[3-[(2-phenoxyacetyl)amino]phenyl]propanamide (PubChem CID 17231402) has the molecular formula C25H25BrN2O4 and a molecular weight of 497.39 g/mol. Its IUPAC name is 2-(4-bromo-2,6-dimethylphenoxy)-N-[3-[(2-phenoxyacetyl)amino]phenyl]propanamide.

Molecular Properties

Compound Name2-(4-bromo-2,6-dimethylphenoxy)-N-[3-[(2-phenoxyacetyl)amino]phenyl]propanamide
PubChem CID17231402
Molecular FormulaC25H25BrN2O4
Molecular Weight497.39 g/mol
Exact Mass496.10
IUPAC Name2-(4-bromo-2,6-dimethylphenoxy)-N-[3-[(2-phenoxyacetyl)amino]phenyl]propanamide
SMILESCc1cc(Br)cc(C)c1OC(C)C(=O)Nc1cccc(NC(=O)COc2ccccc2)c1
InChIInChI=1S/C25H25BrN2O4/c1-16-12-19(26)13-17(2)24(16)32-18(3)25(30)28-21-9-7-8-20(14-21)27-23(29)15-31-22-10-5-4-6-11-22/h4-14,18H,15H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyYAUNQVHWLZTUOW-UHFFFAOYSA-N
XLogP5.49
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.39
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2,6-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 4961087
2-(2,4-dibromo-6-methylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 17123513
2-(2,6-dimethylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]propanamide
CID 17123595
N-benzyl-3-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]benzamide
CID 43887141
(2S)-2-(2,6-dimethylphenoxy)-N'-(2-phenoxyacetyl)propanehydrazide
CID 9297829
3-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide
CID 17233132
N-(4-acetamidophenyl)-2-(4-bromo-2,6-dimethylphenoxy)propanamide
CID 4960935
2-(4-bromophenoxy)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154695
(2S)-2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-chlorophenyl)propanamide
CID 7917269
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 7290642
N-[3-[acetyl(methyl)amino]phenyl]-2-(4-bromo-2,6-dimethylphenoxy)propanamide
CID 46761926
N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenoxyacetamide
CID 46736695

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N-[3-[(2-phenoxyacetyl)amino]phenyl]propanamide?
The IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N-[3-[(2-phenoxyacetyl)amino]phenyl]propanamide (CID 17231402) is 2-(4-bromo-2,6-dimethylphenoxy)-N-[3-[(2-phenoxyacetyl)amino]phenyl]propanamide.
What is the SMILES notation for 2-(4-bromo-2,6-dimethylphenoxy)-N-[3-[(2-phenoxyacetyl)amino]phenyl]propanamide?
The canonical SMILES for 2-(4-bromo-2,6-dimethylphenoxy)-N-[3-[(2-phenoxyacetyl)amino]phenyl]propanamide is Cc1cc(Br)cc(C)c1OC(C)C(=O)Nc1cccc(NC(=O)COc2ccccc2)c1.
What is the InChIKey of 2-(4-bromo-2,6-dimethylphenoxy)-N-[3-[(2-phenoxyacetyl)amino]phenyl]propanamide?
The InChIKey is YAUNQVHWLZTUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN2O4/c1-16-12-19(26)13-17(2)24(16)32-18(3)25(30)28-21-9-7-8-20(14-21)27-23(29)15-31-22-10-5-4-6-11-22/h4-14,18H,15H2,1-3H3,(H,27,29)(H,28,30).
What are the key properties of 2-(4-bromo-2,6-dimethylphenoxy)-N-[3-[(2-phenoxyacetyl)amino]phenyl]propanamide?
2-(4-bromo-2,6-dimethylphenoxy)-N-[3-[(2-phenoxyacetyl)amino]phenyl]propanamide has a molecular weight of 497.39 g/mol, XLogP of 5.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,6-dimethylphenoxy)-N-[3-[(2-phenoxyacetyl)amino]phenyl]propanamide is sourced from PubChem (CID 17231402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).