2-[4-(dibenzylamino)phenyl]acetic acid

C22H21NO2 — CID 11186581

IUPAC2-[4-(dibenzylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C22H21NO2/c24-22(25)15-18-11-13-21(14-12-18)23(16-19-7-3-1-4-8-19)17-20-9-5-2-6-10-20/h1-14H,15-17H2,(H,24,25)
InChIKeyFRRWBVVEZGHOIH-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.52
Rot. Bonds7

About 2-[4-(dibenzylamino)phenyl]acetic acid

2-[4-(dibenzylamino)phenyl]acetic acid (PubChem CID 11186581) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[4-(dibenzylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(dibenzylamino)phenyl]acetic acid
PubChem CID11186581
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name2-[4-(dibenzylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C22H21NO2/c24-22(25)15-18-11-13-21(14-12-18)23(16-19-7-3-1-4-8-19)17-20-9-5-2-6-10-20/h1-14H,15-17H2,(H,24,25)
InChIKeyFRRWBVVEZGHOIH-UHFFFAOYSA-N
XLogP4.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dibenzylamino)phenyl]acetic acid?
The IUPAC name of 2-[4-(dibenzylamino)phenyl]acetic acid (CID 11186581) is 2-[4-(dibenzylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(dibenzylamino)phenyl]acetic acid?
The canonical SMILES for 2-[4-(dibenzylamino)phenyl]acetic acid is O=C(O)Cc1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of 2-[4-(dibenzylamino)phenyl]acetic acid?
The InChIKey is FRRWBVVEZGHOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c24-22(25)15-18-11-13-21(14-12-18)23(16-19-7-3-1-4-8-19)17-20-9-5-2-6-10-20/h1-14H,15-17H2,(H,24,25).
What are the key properties of 2-[4-(dibenzylamino)phenyl]acetic acid?
2-[4-(dibenzylamino)phenyl]acetic acid has a molecular weight of 331.42 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dibenzylamino)phenyl]acetic acid is sourced from PubChem (CID 11186581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).