2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide

C25H26N2O3 — CID 4929756

IUPAC2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
SMILESCc1ccc(C)c(OCC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C25H26N2O3/c1-18-12-13-19(2)23(16-18)30-17-24(28)27-22-11-7-6-10-21(22)25(29)26-15-14-20-8-4-3-5-9-20/h3-13,16H,14-15,17H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyHJTMAZVMSGFXFU-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.29
Rot. Bonds8

About 2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide

2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide (PubChem CID 4929756) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
PubChem CID4929756
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
SMILESCc1ccc(C)c(OCC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C25H26N2O3/c1-18-12-13-19(2)23(16-18)30-17-24(28)27-22-11-7-6-10-21(22)25(29)26-15-14-20-8-4-3-5-9-20/h3-13,16H,14-15,17H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyHJTMAZVMSGFXFU-UHFFFAOYSA-N
XLogP4.29
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide
CID 1012654
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 4929767
2-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 4929765
[2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl] 4-methylbenzoate
CID 9018254
2-[[2-(4-ethoxyphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 29446930
N-(2-aminoethyl)-2-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzamide;hydrochloride
CID 120603417
N-butan-2-yl-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzamide
CID 17151213
2-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 17188917
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 4949320
N-butyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 100559135
2-[[2-[(2-phenylacetyl)amino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 33252278
2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 5302994

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide (CID 4929756) is 2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide is Cc1ccc(C)c(OCC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c1.
What is the InChIKey of 2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide?
The InChIKey is HJTMAZVMSGFXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-18-12-13-19(2)23(16-18)30-17-24(28)27-22-11-7-6-10-21(22)25(29)26-15-14-20-8-4-3-5-9-20/h3-13,16H,14-15,17H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of 2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide?
2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide has a molecular weight of 402.49 g/mol, XLogP of 4.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 4929756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).