2-(4-ethylanilino)-N-(2-phenoxyphenyl)acetamide

C22H22N2O2 — CID 109007685

IUPAC2-(4-ethylanilino)-N-(2-phenoxyphenyl)acetamide
SMILESCCc1ccc(NCC(=O)Nc2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C22H22N2O2/c1-2-17-12-14-18(15-13-17)23-16-22(25)24-20-10-6-7-11-21(20)26-19-8-4-3-5-9-19/h3-15,23H,2,16H2,1H3,(H,24,25)
InChIKeyVAFVKOBTYWVLKA-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.09
Rot. Bonds7

About 2-(4-ethylanilino)-N-(2-phenoxyphenyl)acetamide

2-(4-ethylanilino)-N-(2-phenoxyphenyl)acetamide (PubChem CID 109007685) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(4-ethylanilino)-N-(2-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-ethylanilino)-N-(2-phenoxyphenyl)acetamide
PubChem CID109007685
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name2-(4-ethylanilino)-N-(2-phenoxyphenyl)acetamide
SMILESCCc1ccc(NCC(=O)Nc2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C22H22N2O2/c1-2-17-12-14-18(15-13-17)23-16-22(25)24-20-10-6-7-11-21(20)26-19-8-4-3-5-9-19/h3-15,23H,2,16H2,1H3,(H,24,25)
InChIKeyVAFVKOBTYWVLKA-UHFFFAOYSA-N
XLogP5.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylanilino)-N-(2-phenoxyphenyl)acetamide?
The IUPAC name of 2-(4-ethylanilino)-N-(2-phenoxyphenyl)acetamide (CID 109007685) is 2-(4-ethylanilino)-N-(2-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-ethylanilino)-N-(2-phenoxyphenyl)acetamide?
The canonical SMILES for 2-(4-ethylanilino)-N-(2-phenoxyphenyl)acetamide is CCc1ccc(NCC(=O)Nc2ccccc2Oc2ccccc2)cc1.
What is the InChIKey of 2-(4-ethylanilino)-N-(2-phenoxyphenyl)acetamide?
The InChIKey is VAFVKOBTYWVLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-2-17-12-14-18(15-13-17)23-16-22(25)24-20-10-6-7-11-21(20)26-19-8-4-3-5-9-19/h3-15,23H,2,16H2,1H3,(H,24,25).
What are the key properties of 2-(4-ethylanilino)-N-(2-phenoxyphenyl)acetamide?
2-(4-ethylanilino)-N-(2-phenoxyphenyl)acetamide has a molecular weight of 346.43 g/mol, XLogP of 5.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylanilino)-N-(2-phenoxyphenyl)acetamide is sourced from PubChem (CID 109007685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).