N-(3-methylphenyl)-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide

C26H28N2O3 — CID 26164580

IUPACN-(3-methylphenyl)-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
SMILESCc1cccc(NC(=O)c2cccc(NC(=O)COc3cc(C)ccc3C(C)C)c2)c1
InChIInChI=1S/C26H28N2O3/c1-17(2)23-12-11-19(4)14-24(23)31-16-25(29)27-22-10-6-8-20(15-22)26(30)28-21-9-5-7-18(3)13-21/h5-15,17H,16H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyMRZVGFKIGHKQKQ-UHFFFAOYSA-N
MW416.52 g/mol
LogP5.70
Rot. Bonds7

About N-(3-methylphenyl)-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide

N-(3-methylphenyl)-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide (PubChem CID 26164580) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
PubChem CID26164580
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC NameN-(3-methylphenyl)-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
SMILESCc1cccc(NC(=O)c2cccc(NC(=O)COc3cc(C)ccc3C(C)C)c2)c1
InChIInChI=1S/C26H28N2O3/c1-17(2)23-12-11-19(4)14-24(23)31-16-25(29)27-22-10-6-8-20(15-22)26(30)28-21-9-5-7-18(3)13-21/h5-15,17H,16H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyMRZVGFKIGHKQKQ-UHFFFAOYSA-N
XLogP5.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 682181
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-bromophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 1181239
N-butan-2-yl-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 17198816
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164583
ethyl 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 17066452
3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43877767
[2-(3-acetylanilino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 7839422
N-[3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231324
3-[[2-(2-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164549
3-[[2-(4-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164547

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide?
The IUPAC name of N-(3-methylphenyl)-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide (CID 26164580) is N-(3-methylphenyl)-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-(3-methylphenyl)-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-(3-methylphenyl)-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide is Cc1cccc(NC(=O)c2cccc(NC(=O)COc3cc(C)ccc3C(C)C)c2)c1.
What is the InChIKey of N-(3-methylphenyl)-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide?
The InChIKey is MRZVGFKIGHKQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-17(2)23-12-11-19(4)14-24(23)31-16-25(29)27-22-10-6-8-20(15-22)26(30)28-21-9-5-7-18(3)13-21/h5-15,17H,16H2,1-4H3,(H,27,29)(H,28,30).
What are the key properties of N-(3-methylphenyl)-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide?
N-(3-methylphenyl)-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide has a molecular weight of 416.52 g/mol, XLogP of 5.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 26164580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).