4-[4-[(4-phenylphenyl)methylamino]phenyl]butanoic acid

C23H23NO2 — CID 24825487

IUPAC4-[4-[(4-phenylphenyl)methylamino]phenyl]butanoic acid
SMILESO=C(O)CCCc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H23NO2/c25-23(26)8-4-5-18-11-15-22(16-12-18)24-17-19-9-13-21(14-10-19)20-6-2-1-3-7-20/h1-3,6-7,9-16,24H,4-5,8,17H2,(H,25,26)
InChIKeyGBRIKDJWJZMSSI-UHFFFAOYSA-N
MW345.44 g/mol
LogP5.37
Rot. Bonds8

About 4-[4-[(4-phenylphenyl)methylamino]phenyl]butanoic acid

4-[4-[(4-phenylphenyl)methylamino]phenyl]butanoic acid (PubChem CID 24825487) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is 4-[4-[(4-phenylphenyl)methylamino]phenyl]butanoic acid.

Molecular Properties

Compound Name4-[4-[(4-phenylphenyl)methylamino]phenyl]butanoic acid
PubChem CID24825487
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name4-[4-[(4-phenylphenyl)methylamino]phenyl]butanoic acid
SMILESO=C(O)CCCc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H23NO2/c25-23(26)8-4-5-18-11-15-22(16-12-18)24-17-19-9-13-21(14-10-19)20-6-2-1-3-7-20/h1-3,6-7,9-16,24H,4-5,8,17H2,(H,25,26)
InChIKeyGBRIKDJWJZMSSI-UHFFFAOYSA-N
XLogP5.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.44
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-phenylphenyl)methylamino]phenyl]butanoic acid?
The IUPAC name of 4-[4-[(4-phenylphenyl)methylamino]phenyl]butanoic acid (CID 24825487) is 4-[4-[(4-phenylphenyl)methylamino]phenyl]butanoic acid.
What is the SMILES notation for 4-[4-[(4-phenylphenyl)methylamino]phenyl]butanoic acid?
The canonical SMILES for 4-[4-[(4-phenylphenyl)methylamino]phenyl]butanoic acid is O=C(O)CCCc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[4-[(4-phenylphenyl)methylamino]phenyl]butanoic acid?
The InChIKey is GBRIKDJWJZMSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c25-23(26)8-4-5-18-11-15-22(16-12-18)24-17-19-9-13-21(14-10-19)20-6-2-1-3-7-20/h1-3,6-7,9-16,24H,4-5,8,17H2,(H,25,26).
What are the key properties of 4-[4-[(4-phenylphenyl)methylamino]phenyl]butanoic acid?
4-[4-[(4-phenylphenyl)methylamino]phenyl]butanoic acid has a molecular weight of 345.44 g/mol, XLogP of 5.37, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-phenylphenyl)methylamino]phenyl]butanoic acid is sourced from PubChem (CID 24825487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).