2-[[3-(2-methoxyphenyl)benzoyl]-[(2-propan-2-yloxyphenyl)methyl]amino]acetic acid

C26H27NO5 — CID 129454644

IUPAC2-[[3-(2-methoxyphenyl)benzoyl]-[(2-propan-2-yloxyphenyl)methyl]amino]acetic acid
SMILESCOc1ccccc1-c1cccc(C(=O)N(CC(=O)O)Cc2ccccc2OC(C)C)c1
InChIInChI=1S/C26H27NO5/c1-18(2)32-23-13-6-4-9-21(23)16-27(17-25(28)29)26(30)20-11-8-10-19(15-20)22-12-5-7-14-24(22)31-3/h4-15,18H,16-17H2,1-3H3,(H,28,29)
InChIKeyFOAHMJPPXUYDFQ-UHFFFAOYSA-N
MW433.50 g/mol
LogP4.88
Rot. Bonds9

About 2-[[3-(2-methoxyphenyl)benzoyl]-[(2-propan-2-yloxyphenyl)methyl]amino]acetic acid

2-[[3-(2-methoxyphenyl)benzoyl]-[(2-propan-2-yloxyphenyl)methyl]amino]acetic acid (PubChem CID 129454644) has the molecular formula C26H27NO5 and a molecular weight of 433.50 g/mol. Its IUPAC name is 2-[[3-(2-methoxyphenyl)benzoyl]-[(2-propan-2-yloxyphenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-(2-methoxyphenyl)benzoyl]-[(2-propan-2-yloxyphenyl)methyl]amino]acetic acid
PubChem CID129454644
Molecular FormulaC26H27NO5
Molecular Weight433.50 g/mol
Exact Mass433.19
IUPAC Name2-[[3-(2-methoxyphenyl)benzoyl]-[(2-propan-2-yloxyphenyl)methyl]amino]acetic acid
SMILESCOc1ccccc1-c1cccc(C(=O)N(CC(=O)O)Cc2ccccc2OC(C)C)c1
InChIInChI=1S/C26H27NO5/c1-18(2)32-23-13-6-4-9-21(23)16-27(17-25(28)29)26(30)20-11-8-10-19(15-20)22-12-5-7-14-24(22)31-3/h4-15,18H,16-17H2,1-3H3,(H,28,29)
InChIKeyFOAHMJPPXUYDFQ-UHFFFAOYSA-N
XLogP4.88
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.50
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[3-(2-methoxyphenyl)benzoyl]-[(2-propan-2-yloxyphenyl)methyl]amino]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-methoxyphenyl)benzoyl]-[(2-propan-2-yloxyphenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[[3-(2-methoxyphenyl)benzoyl]-[(2-propan-2-yloxyphenyl)methyl]amino]acetic acid (CID 129454644) is 2-[[3-(2-methoxyphenyl)benzoyl]-[(2-propan-2-yloxyphenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-(2-methoxyphenyl)benzoyl]-[(2-propan-2-yloxyphenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[[3-(2-methoxyphenyl)benzoyl]-[(2-propan-2-yloxyphenyl)methyl]amino]acetic acid is COc1ccccc1-c1cccc(C(=O)N(CC(=O)O)Cc2ccccc2OC(C)C)c1.
What is the InChIKey of 2-[[3-(2-methoxyphenyl)benzoyl]-[(2-propan-2-yloxyphenyl)methyl]amino]acetic acid?
The InChIKey is FOAHMJPPXUYDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO5/c1-18(2)32-23-13-6-4-9-21(23)16-27(17-25(28)29)26(30)20-11-8-10-19(15-20)22-12-5-7-14-24(22)31-3/h4-15,18H,16-17H2,1-3H3,(H,28,29).
What are the key properties of 2-[[3-(2-methoxyphenyl)benzoyl]-[(2-propan-2-yloxyphenyl)methyl]amino]acetic acid?
2-[[3-(2-methoxyphenyl)benzoyl]-[(2-propan-2-yloxyphenyl)methyl]amino]acetic acid has a molecular weight of 433.50 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methoxyphenyl)benzoyl]-[(2-propan-2-yloxyphenyl)methyl]amino]acetic acid is sourced from PubChem (CID 129454644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).