2-[[2-(3-acetylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide

C25H24N2O4 — CID 52891404

IUPAC2-[[2-(3-acetylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
SMILESCC(=O)c1cccc(OCC(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)c1
InChIInChI=1S/C25H24N2O4/c1-17-10-12-19(13-11-17)15-26-25(30)22-8-3-4-9-23(22)27-24(29)16-31-21-7-5-6-20(14-21)18(2)28/h3-14H,15-16H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyOLMPZXKVQFRWAA-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.15
Rot. Bonds8

About 2-[[2-(3-acetylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide

2-[[2-(3-acetylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 52891404) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 2-[[2-(3-acetylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-[[2-(3-acetylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
PubChem CID52891404
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name2-[[2-(3-acetylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
SMILESCC(=O)c1cccc(OCC(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)c1
InChIInChI=1S/C25H24N2O4/c1-17-10-12-19(13-11-17)15-26-25(30)22-8-3-4-9-23(22)27-24(29)16-31-21-7-5-6-20(14-21)18(2)28/h3-14H,15-16H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyOLMPZXKVQFRWAA-UHFFFAOYSA-N
XLogP4.15
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(3-carbamoylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 55910870
2-[[2-(3-methoxyphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 112787422
2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 52891720
2-[[2-(4-fluorophenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 55327835
N-benzyl-3-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzamide
CID 9253155
2-(3-acetylphenoxy)-N-(4-methylphenyl)acetamide
CID 2616941
2-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N-[(4-methylphenyl)methyl]benzamide
CID 55759450
N-benzyl-2-[(3-ethoxybenzoyl)amino]benzamide
CID 4957453
2-[[2-(3-methylphenoxy)acetyl]amino]-N-propylbenzamide
CID 4945928
[2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 3-(methylsulfonylmethyl)benzoate
CID 27749348
N-(furan-2-ylmethyl)-2-[[2-(3-methylphenoxy)acetyl]amino]benzamide
CID 4938454
2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 21173810

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-acetylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 2-[[2-(3-acetylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide (CID 52891404) is 2-[[2-(3-acetylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 2-[[2-(3-acetylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 2-[[2-(3-acetylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide is CC(=O)c1cccc(OCC(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)c1.
What is the InChIKey of 2-[[2-(3-acetylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is OLMPZXKVQFRWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-17-10-12-19(13-11-17)15-26-25(30)22-8-3-4-9-23(22)27-24(29)16-31-21-7-5-6-20(14-21)18(2)28/h3-14H,15-16H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of 2-[[2-(3-acetylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide?
2-[[2-(3-acetylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 416.48 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-acetylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 52891404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).