2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide

C26H28N2O4 — CID 1012654

IUPAC2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide
SMILESCc1ccc(C)c(OCC(=O)Nc2ccccc2NC(=O)COc2cc(C)ccc2C)c1
InChIInChI=1S/C26H28N2O4/c1-17-9-11-19(3)23(13-17)31-15-25(29)27-21-7-5-6-8-22(21)28-26(30)16-32-24-14-18(2)10-12-20(24)4/h5-14H,15-16H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyXKNPYTDHJZHMPF-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.96
Rot. Bonds8

About 2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide

2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide (PubChem CID 1012654) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide
PubChem CID1012654
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Name2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide
SMILESCc1ccc(C)c(OCC(=O)Nc2ccccc2NC(=O)COc2cc(C)ccc2C)c1
InChIInChI=1S/C26H28N2O4/c1-17-9-11-19(3)23(13-17)31-15-25(29)27-21-7-5-6-8-22(21)28-26(30)16-32-24-14-18(2)10-12-20(24)4/h5-14H,15-16H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyXKNPYTDHJZHMPF-UHFFFAOYSA-N
XLogP4.96
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylphenoxy)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119440106
2-(2,5-dimethylphenoxy)-N-[2-(ethoxymethyl)phenyl]acetamide
CID 86821690
2-(2,5-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 807483
2-(2,5-dimethylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 35728477
N-butan-2-yl-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzamide
CID 17151213
2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 4929756
2-(2-chloro-5-methylphenoxy)-N-(2-chlorophenyl)acetamide
CID 2611371
2-(2,5-dimethylphenoxy)-N-(2-methyl-5-methylsulfonylphenyl)acetamide
CID 18196078
2-(2,5-dimethylphenoxy)-N-isoquinolin-5-ylacetamide
CID 8763215
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(2,5-dimethylphenoxy)acetate
CID 8919136
N-[3-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]propanamide
CID 17188255
N-(2-amino-4-methylphenyl)-2-(2-methylphenoxy)acetamide
CID 43376481

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide (CID 1012654) is 2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide is Cc1ccc(C)c(OCC(=O)Nc2ccccc2NC(=O)COc2cc(C)ccc2C)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide?
The InChIKey is XKNPYTDHJZHMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-17-9-11-19(3)23(13-17)31-15-25(29)27-21-7-5-6-8-22(21)28-26(30)16-32-24-14-18(2)10-12-20(24)4/h5-14H,15-16H2,1-4H3,(H,27,29)(H,28,30).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide?
2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide has a molecular weight of 432.52 g/mol, XLogP of 4.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide is sourced from PubChem (CID 1012654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).