2-(4-bromo-2,6-dimethylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]acetamide

C25H26BrNO3 — CID 17131419

IUPAC2-(4-bromo-2,6-dimethylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]acetamide
SMILESCc1cc(Br)cc(C)c1OCC(=O)Nc1ccccc1OCCCc1ccccc1
InChIInChI=1S/C25H26BrNO3/c1-18-15-21(26)16-19(2)25(18)30-17-24(28)27-22-12-6-7-13-23(22)29-14-8-11-20-9-4-3-5-10-20/h3-7,9-10,12-13,15-16H,8,11,14,17H2,1-2H3,(H,27,28)
InChIKeyIQTARANZQHINHM-UHFFFAOYSA-N
MW468.39 g/mol
LogP6.10
Rot. Bonds9

About 2-(4-bromo-2,6-dimethylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]acetamide

2-(4-bromo-2,6-dimethylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]acetamide (PubChem CID 17131419) has the molecular formula C25H26BrNO3 and a molecular weight of 468.39 g/mol. Its IUPAC name is 2-(4-bromo-2,6-dimethylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2,6-dimethylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]acetamide
PubChem CID17131419
Molecular FormulaC25H26BrNO3
Molecular Weight468.39 g/mol
Exact Mass467.11
IUPAC Name2-(4-bromo-2,6-dimethylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]acetamide
SMILESCc1cc(Br)cc(C)c1OCC(=O)Nc1ccccc1OCCCc1ccccc1
InChIInChI=1S/C25H26BrNO3/c1-18-15-21(26)16-19(2)25(18)30-17-24(28)27-22-12-6-7-13-23(22)29-14-8-11-20-9-4-3-5-10-20/h3-7,9-10,12-13,15-16H,8,11,14,17H2,1-2H3,(H,27,28)
InChIKeyIQTARANZQHINHM-UHFFFAOYSA-N
XLogP6.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.39
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenylmethoxyphenyl)acetamide
CID 17093492
2-(3-methylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 17131381
2-(methylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54820711
2-(2-bromo-4-phenylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 17131486
N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide
CID 3341673
N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide
CID 17131518
2-(2,4-dibromo-6-methylphenoxy)-N-(2-propan-2-yloxyphenyl)acetamide
CID 17150905
N-(2-bromophenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3249849
N-(2,5-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54827070
N-(3,5-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54827069
2-phenylethyl 2-(4-bromo-2,6-dimethylphenoxy)acetate
CID 4945265
N-benzyl-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 4504132

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]acetamide?
The IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]acetamide (CID 17131419) is 2-(4-bromo-2,6-dimethylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2,6-dimethylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-bromo-2,6-dimethylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]acetamide is Cc1cc(Br)cc(C)c1OCC(=O)Nc1ccccc1OCCCc1ccccc1.
What is the InChIKey of 2-(4-bromo-2,6-dimethylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]acetamide?
The InChIKey is IQTARANZQHINHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26BrNO3/c1-18-15-21(26)16-19(2)25(18)30-17-24(28)27-22-12-6-7-13-23(22)29-14-8-11-20-9-4-3-5-10-20/h3-7,9-10,12-13,15-16H,8,11,14,17H2,1-2H3,(H,27,28).
What are the key properties of 2-(4-bromo-2,6-dimethylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]acetamide?
2-(4-bromo-2,6-dimethylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]acetamide has a molecular weight of 468.39 g/mol, XLogP of 6.10, 9 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-[2-(3-phenylpropoxy)phenyl]acetamide is sourced from PubChem (CID 17131419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).