N-[3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide

C26H28N2O4 — CID 17231324

IUPACN-[3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)Nc2cccc(NC(=O)COc3ccccc3)c2)c1
InChIInChI=1S/C26H28N2O4/c1-18(2)23-13-12-19(3)14-24(23)32-17-26(30)28-21-9-7-8-20(15-21)27-25(29)16-31-22-10-5-4-6-11-22/h4-15,18H,16-17H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyFMRGSPFPHBIWDW-UHFFFAOYSA-N
MW432.52 g/mol
LogP5.15
Rot. Bonds9

About N-[3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide

N-[3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide (PubChem CID 17231324) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
PubChem CID17231324
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC NameN-[3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)Nc2cccc(NC(=O)COc3ccccc3)c2)c1
InChIInChI=1S/C26H28N2O4/c1-18(2)23-13-12-19(3)14-24(23)32-17-26(30)28-21-9-7-8-20(15-21)27-25(29)16-31-22-10-5-4-6-11-22/h4-15,18H,16-17H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyFMRGSPFPHBIWDW-UHFFFAOYSA-N
XLogP5.15
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide with MolForge

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Related Compounds

N-(3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 682181
N-(3-bromophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 1181239
3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 16618761
methyl 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 4787643
N-(3-methylphenyl)-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 26164580
3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43877767
ethyl 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 17066452
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-phenoxyphenyl)acetamide
CID 7935802
N-(3,5-dimethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 26218545
N-butan-2-yl-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 17198816
[2-(3-acetylanilino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 7839422
[2-(3-chloroanilino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 7839443

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide (CID 17231324) is N-[3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide is Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc(NC(=O)COc3ccccc3)c2)c1.
What is the InChIKey of N-[3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide?
The InChIKey is FMRGSPFPHBIWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-18(2)23-13-12-19(3)14-24(23)32-17-26(30)28-21-9-7-8-20(15-21)27-25(29)16-31-22-10-5-4-6-11-22/h4-15,18H,16-17H2,1-3H3,(H,27,29)(H,28,30).
What are the key properties of N-[3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide?
N-[3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide has a molecular weight of 432.52 g/mol, XLogP of 5.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 17231324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).