2-[3-[2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamoyl]phenoxy]acetic acid

C29H26N2O5 — CID 59145266

IUPAC2-[3-[2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(C(=O)NCCn2cc(C(c3ccccc3)c3ccccc3)ccc2=O)c1
InChIInChI=1S/C29H26N2O5/c32-26-15-14-24(28(21-8-3-1-4-9-21)22-10-5-2-6-11-22)19-31(26)17-16-30-29(35)23-12-7-13-25(18-23)36-20-27(33)34/h1-15,18-19,28H,16-17,20H2,(H,30,35)(H,33,34)
InChIKeyDMMFRHRYUGBMLK-UHFFFAOYSA-N
MW482.54 g/mol
LogP3.92
Rot. Bonds10

About 2-[3-[2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamoyl]phenoxy]acetic acid

2-[3-[2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamoyl]phenoxy]acetic acid (PubChem CID 59145266) has the molecular formula C29H26N2O5 and a molecular weight of 482.54 g/mol. Its IUPAC name is 2-[3-[2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamoyl]phenoxy]acetic acid
PubChem CID59145266
Molecular FormulaC29H26N2O5
Molecular Weight482.54 g/mol
Exact Mass482.18
IUPAC Name2-[3-[2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(C(=O)NCCn2cc(C(c3ccccc3)c3ccccc3)ccc2=O)c1
InChIInChI=1S/C29H26N2O5/c32-26-15-14-24(28(21-8-3-1-4-9-21)22-10-5-2-6-11-22)19-31(26)17-16-30-29(35)23-12-7-13-25(18-23)36-20-27(33)34/h1-15,18-19,28H,16-17,20H2,(H,30,35)(H,33,34)
InChIKeyDMMFRHRYUGBMLK-UHFFFAOYSA-N
XLogP3.92
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-[2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamoyl]phenoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamoyl]phenoxy]acetic acid (CID 59145266) is 2-[3-[2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamoyl]phenoxy]acetic acid is O=C(O)COc1cccc(C(=O)NCCn2cc(C(c3ccccc3)c3ccccc3)ccc2=O)c1.
What is the InChIKey of 2-[3-[2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamoyl]phenoxy]acetic acid?
The InChIKey is DMMFRHRYUGBMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O5/c32-26-15-14-24(28(21-8-3-1-4-9-21)22-10-5-2-6-11-22)19-31(26)17-16-30-29(35)23-12-7-13-25(18-23)36-20-27(33)34/h1-15,18-19,28H,16-17,20H2,(H,30,35)(H,33,34).
What are the key properties of 2-[3-[2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamoyl]phenoxy]acetic acid?
2-[3-[2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamoyl]phenoxy]acetic acid has a molecular weight of 482.54 g/mol, XLogP of 3.92, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 59145266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).