2-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-N-ethyl-N-phenylacetamide

C26H28N2O3 — CID 55817645

IUPAC2-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)Cc1ccc(NC(=O)COc2ccc(C)cc2C)cc1)c1ccccc1
InChIInChI=1S/C26H28N2O3/c1-4-28(23-8-6-5-7-9-23)26(30)17-21-11-13-22(14-12-21)27-25(29)18-31-24-15-10-19(2)16-20(24)3/h5-16H,4,17-18H2,1-3H3,(H,27,29)
InChIKeyADLBFZMNUUSPSK-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.92
Rot. Bonds8

About 2-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-N-ethyl-N-phenylacetamide

2-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-N-ethyl-N-phenylacetamide (PubChem CID 55817645) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 2-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-N-ethyl-N-phenylacetamide
PubChem CID55817645
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name2-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)Cc1ccc(NC(=O)COc2ccc(C)cc2C)cc1)c1ccccc1
InChIInChI=1S/C26H28N2O3/c1-4-28(23-8-6-5-7-9-23)26(30)17-21-11-13-22(14-12-21)27-25(29)18-31-24-15-10-19(2)16-20(24)3/h5-16H,4,17-18H2,1-3H3,(H,27,29)
InChIKeyADLBFZMNUUSPSK-UHFFFAOYSA-N
XLogP4.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-phenylpropanamide
CID 55817357
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2,5-dimethylthiophene-3-carboxamide
CID 55890640
3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17221916
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,4-dimethylbenzamide
CID 55891914
3-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-N-methylpropanamide
CID 54780793
2-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]-N-methylacetamide
CID 35364916
2-(4-acetamidophenyl)-N-(2,4-dimethylphenyl)-N-ethylacetamide
CID 86927157
2-(2,4-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 26239246
4-(2-amino-2-oxoethoxy)-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,5-dimethoxybenzamide
CID 55891532
2-(2,4-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide
CID 19166514
N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 22776254
methyl 2-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 894367

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-N-ethyl-N-phenylacetamide (CID 55817645) is 2-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-N-ethyl-N-phenylacetamide is CCN(C(=O)Cc1ccc(NC(=O)COc2ccc(C)cc2C)cc1)c1ccccc1.
What is the InChIKey of 2-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-N-ethyl-N-phenylacetamide?
The InChIKey is ADLBFZMNUUSPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-4-28(23-8-6-5-7-9-23)26(30)17-21-11-13-22(14-12-21)27-25(29)18-31-24-15-10-19(2)16-20(24)3/h5-16H,4,17-18H2,1-3H3,(H,27,29).
What are the key properties of 2-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-N-ethyl-N-phenylacetamide?
2-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-N-ethyl-N-phenylacetamide has a molecular weight of 416.52 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-N-ethyl-N-phenylacetamide is sourced from PubChem (CID 55817645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).