3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]-N-phenylbenzamide

C24H24N2O3 — CID 46475227

IUPAC3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]-N-phenylbenzamide
SMILESCc1ccc(OCC(=O)NCc2cccc(C(=O)Nc3ccccc3)c2)c(C)c1
InChIInChI=1S/C24H24N2O3/c1-17-11-12-22(18(2)13-17)29-16-23(27)25-15-19-7-6-8-20(14-19)24(28)26-21-9-4-3-5-10-21/h3-14H,15-16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyFXTBYSHAJFOPPJ-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.25
Rot. Bonds7

About 3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]-N-phenylbenzamide

3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]-N-phenylbenzamide (PubChem CID 46475227) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]-N-phenylbenzamide.

Molecular Properties

Compound Name3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]-N-phenylbenzamide
PubChem CID46475227
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]-N-phenylbenzamide
SMILESCc1ccc(OCC(=O)NCc2cccc(C(=O)Nc3ccccc3)c2)c(C)c1
InChIInChI=1S/C24H24N2O3/c1-17-11-12-22(18(2)13-17)29-16-23(27)25-15-19-7-6-8-20(14-19)24(28)26-21-9-4-3-5-10-21/h3-14H,15-16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyFXTBYSHAJFOPPJ-UHFFFAOYSA-N
XLogP4.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]acetamide
CID 108923905
2-(2,4-dimethylphenoxy)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 46456585
N-benzyl-3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]benzamide
CID 28638799
N-benzyl-3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]benzamide
CID 28638819
[3-[[3-[[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108929047
N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 909269
3-[[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]methyl]-N-phenylbenzamide
CID 46466168
N-[(3-acetamidophenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 39575947
3-[[2-(2-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164549
N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-3,4-dimethoxybenzamide
CID 108935771
N-benzyl-2-(2-formyl-4-methylphenoxy)acetamide
CID 63325172
N-butyl-3-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzamide
CID 17196875

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]-N-phenylbenzamide?
The IUPAC name of 3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]-N-phenylbenzamide (CID 46475227) is 3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]-N-phenylbenzamide.
What is the SMILES notation for 3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]-N-phenylbenzamide?
The canonical SMILES for 3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]-N-phenylbenzamide is Cc1ccc(OCC(=O)NCc2cccc(C(=O)Nc3ccccc3)c2)c(C)c1.
What is the InChIKey of 3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]-N-phenylbenzamide?
The InChIKey is FXTBYSHAJFOPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-17-11-12-22(18(2)13-17)29-16-23(27)25-15-19-7-6-8-20(14-19)24(28)26-21-9-4-3-5-10-21/h3-14H,15-16H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]-N-phenylbenzamide?
3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]-N-phenylbenzamide has a molecular weight of 388.47 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]-N-phenylbenzamide is sourced from PubChem (CID 46475227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).