2-(4-bromo-2-methylphenoxy)-N-[3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]propyl]acetamide

C21H24Br2N2O4 — CID 4981184

IUPAC2-(4-bromo-2-methylphenoxy)-N-[3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]propyl]acetamide
SMILESCc1cc(Br)ccc1OCC(=O)NCCCNC(=O)COc1ccc(Br)cc1C
InChIInChI=1S/C21H24Br2N2O4/c1-14-10-16(22)4-6-18(14)28-12-20(26)24-8-3-9-25-21(27)13-29-19-7-5-17(23)11-15(19)2/h4-7,10-11H,3,8-9,12-13H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyQVMVDEIEOCYMNH-UHFFFAOYSA-N
MW528.24 g/mol
LogP3.91
Rot. Bonds10

About 2-(4-bromo-2-methylphenoxy)-N-[3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]propyl]acetamide

2-(4-bromo-2-methylphenoxy)-N-[3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]propyl]acetamide (PubChem CID 4981184) has the molecular formula C21H24Br2N2O4 and a molecular weight of 528.24 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenoxy)-N-[3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]propyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenoxy)-N-[3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]propyl]acetamide
PubChem CID4981184
Molecular FormulaC21H24Br2N2O4
Molecular Weight528.24 g/mol
Exact Mass526.01
IUPAC Name2-(4-bromo-2-methylphenoxy)-N-[3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]propyl]acetamide
SMILESCc1cc(Br)ccc1OCC(=O)NCCCNC(=O)COc1ccc(Br)cc1C
InChIInChI=1S/C21H24Br2N2O4/c1-14-10-16(22)4-6-18(14)28-12-20(26)24-8-3-9-25-21(27)13-29-19-7-5-17(23)11-15(19)2/h4-7,10-11H,3,8-9,12-13H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyQVMVDEIEOCYMNH-UHFFFAOYSA-N
XLogP3.91
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.24
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-bromo-2-methylphenoxy)-N-[3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]propyl]acetamide with MolForge

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Related Compounds

2-(4-bromo-2-chlorophenoxy)-N-[3-(methylamino)propyl]acetamide
CID 119434089
2-(4-bromo-2-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 695854
N-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 17142931
2-(4-bromo-2-methylphenoxy)acetamide
CID 803456
2-(4-tert-butyl-2-methylphenoxy)-N-[2-[[2-(4-tert-butyl-2-methylphenoxy)acetyl]amino]ethyl]acetamide
CID 5014874
2-(4-bromo-2-methylphenoxy)-N-[4-[[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]phenyl]methyl]phenyl]acetamide
CID 5180817
2-(4-bromo-2-methylphenoxy)-N-[4-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
CID 5180819
N-(2-acetamidophenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1328492
2-(4-bromo-2-cyanophenoxy)-N-butylacetamide
CID 80602356
3-bromo-N'-[2-(4-bromo-2-methylphenoxy)acetyl]benzohydrazide
CID 54790769
2-(2,4-dibromophenoxy)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103862131
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-bromo-2-methylphenoxy)acetamide
CID 3423079

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenoxy)-N-[3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]propyl]acetamide?
The IUPAC name of 2-(4-bromo-2-methylphenoxy)-N-[3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]propyl]acetamide (CID 4981184) is 2-(4-bromo-2-methylphenoxy)-N-[3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]propyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-methylphenoxy)-N-[3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]propyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-methylphenoxy)-N-[3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]propyl]acetamide is Cc1cc(Br)ccc1OCC(=O)NCCCNC(=O)COc1ccc(Br)cc1C.
What is the InChIKey of 2-(4-bromo-2-methylphenoxy)-N-[3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]propyl]acetamide?
The InChIKey is QVMVDEIEOCYMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Br2N2O4/c1-14-10-16(22)4-6-18(14)28-12-20(26)24-8-3-9-25-21(27)13-29-19-7-5-17(23)11-15(19)2/h4-7,10-11H,3,8-9,12-13H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 2-(4-bromo-2-methylphenoxy)-N-[3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]propyl]acetamide?
2-(4-bromo-2-methylphenoxy)-N-[3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]propyl]acetamide has a molecular weight of 528.24 g/mol, XLogP of 3.91, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenoxy)-N-[3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]propyl]acetamide is sourced from PubChem (CID 4981184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).