N-(4-phenoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide

C23H23NO3 — CID 1320918

IUPACN-(4-phenoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C23H23NO3/c1-17(2)18-8-12-20(13-9-18)26-16-23(25)24-19-10-14-22(15-11-19)27-21-6-4-3-5-7-21/h3-15,17H,16H2,1-2H3,(H,24,25)
InChIKeyUWZFRPSWIMXPQE-UHFFFAOYSA-N
MW361.44 g/mol
LogP5.62
Rot. Bonds7

About N-(4-phenoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide

N-(4-phenoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 1320918) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID1320918
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC NameN-(4-phenoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C23H23NO3/c1-17(2)18-8-12-20(13-9-18)26-16-23(25)24-19-10-14-22(15-11-19)27-21-6-4-3-5-7-21/h3-15,17H,16H2,1-2H3,(H,24,25)
InChIKeyUWZFRPSWIMXPQE-UHFFFAOYSA-N
XLogP5.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.44
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(4-phenoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide (CID 1320918) is N-(4-phenoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(4-phenoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(4-phenoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide is CC(C)c1ccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-phenoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is UWZFRPSWIMXPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c1-17(2)18-8-12-20(13-9-18)26-16-23(25)24-19-10-14-22(15-11-19)27-21-6-4-3-5-7-21/h3-15,17H,16H2,1-2H3,(H,24,25).
What are the key properties of N-(4-phenoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide?
N-(4-phenoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 361.44 g/mol, XLogP of 5.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 1320918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).