N-[2-(4-ethoxyphenoxy)phenyl]-2-phenoxypropanamide

C23H23NO4 — CID 18170387

IUPACN-[2-(4-ethoxyphenoxy)phenyl]-2-phenoxypropanamide
SMILESCCOc1ccc(Oc2ccccc2NC(=O)C(C)Oc2ccccc2)cc1
InChIInChI=1S/C23H23NO4/c1-3-26-18-13-15-20(16-14-18)28-22-12-8-7-11-21(22)24-23(25)17(2)27-19-9-5-4-6-10-19/h4-17H,3H2,1-2H3,(H,24,25)
InChIKeyAWRTTYGBJQPVJP-UHFFFAOYSA-N
MW377.44 g/mol
LogP5.28
Rot. Bonds8

About N-[2-(4-ethoxyphenoxy)phenyl]-2-phenoxypropanamide

N-[2-(4-ethoxyphenoxy)phenyl]-2-phenoxypropanamide (PubChem CID 18170387) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenoxy)phenyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenoxy)phenyl]-2-phenoxypropanamide
PubChem CID18170387
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC NameN-[2-(4-ethoxyphenoxy)phenyl]-2-phenoxypropanamide
SMILESCCOc1ccc(Oc2ccccc2NC(=O)C(C)Oc2ccccc2)cc1
InChIInChI=1S/C23H23NO4/c1-3-26-18-13-15-20(16-14-18)28-22-12-8-7-11-21(22)24-23(25)17(2)27-19-9-5-4-6-10-19/h4-17H,3H2,1-2H3,(H,24,25)
InChIKeyAWRTTYGBJQPVJP-UHFFFAOYSA-N
XLogP5.28
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.44
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenoxy)phenyl]-2-phenoxypropanamide?
The IUPAC name of N-[2-(4-ethoxyphenoxy)phenyl]-2-phenoxypropanamide (CID 18170387) is N-[2-(4-ethoxyphenoxy)phenyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[2-(4-ethoxyphenoxy)phenyl]-2-phenoxypropanamide?
The canonical SMILES for N-[2-(4-ethoxyphenoxy)phenyl]-2-phenoxypropanamide is CCOc1ccc(Oc2ccccc2NC(=O)C(C)Oc2ccccc2)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenoxy)phenyl]-2-phenoxypropanamide?
The InChIKey is AWRTTYGBJQPVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c1-3-26-18-13-15-20(16-14-18)28-22-12-8-7-11-21(22)24-23(25)17(2)27-19-9-5-4-6-10-19/h4-17H,3H2,1-2H3,(H,24,25).
What are the key properties of N-[2-(4-ethoxyphenoxy)phenyl]-2-phenoxypropanamide?
N-[2-(4-ethoxyphenoxy)phenyl]-2-phenoxypropanamide has a molecular weight of 377.44 g/mol, XLogP of 5.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenoxy)phenyl]-2-phenoxypropanamide is sourced from PubChem (CID 18170387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).