2-[2-[3-[2-[benzyl(ethyl)amino]-2-oxoethoxy]phenyl]ethoxy]benzoic acid

C26H27NO5 — CID 91392337

IUPAC2-[2-[3-[2-[benzyl(ethyl)amino]-2-oxoethoxy]phenyl]ethoxy]benzoic acid
SMILESCCN(Cc1ccccc1)C(=O)COc1cccc(CCOc2ccccc2C(=O)O)c1
InChIInChI=1S/C26H27NO5/c1-2-27(18-21-9-4-3-5-10-21)25(28)19-32-22-12-8-11-20(17-22)15-16-31-24-14-7-6-13-23(24)26(29)30/h3-14,17H,2,15-16,18-19H2,1H3,(H,29,30)
InChIKeyNLXWQWOFRAMDEX-UHFFFAOYSA-N
MW433.50 g/mol
LogP4.43
Rot. Bonds11

About 2-[2-[3-[2-[benzyl(ethyl)amino]-2-oxoethoxy]phenyl]ethoxy]benzoic acid

2-[2-[3-[2-[benzyl(ethyl)amino]-2-oxoethoxy]phenyl]ethoxy]benzoic acid (PubChem CID 91392337) has the molecular formula C26H27NO5 and a molecular weight of 433.50 g/mol. Its IUPAC name is 2-[2-[3-[2-[benzyl(ethyl)amino]-2-oxoethoxy]phenyl]ethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-[3-[2-[benzyl(ethyl)amino]-2-oxoethoxy]phenyl]ethoxy]benzoic acid
PubChem CID91392337
Molecular FormulaC26H27NO5
Molecular Weight433.50 g/mol
Exact Mass433.19
IUPAC Name2-[2-[3-[2-[benzyl(ethyl)amino]-2-oxoethoxy]phenyl]ethoxy]benzoic acid
SMILESCCN(Cc1ccccc1)C(=O)COc1cccc(CCOc2ccccc2C(=O)O)c1
InChIInChI=1S/C26H27NO5/c1-2-27(18-21-9-4-3-5-10-21)25(28)19-32-22-12-8-11-20(17-22)15-16-31-24-14-7-6-13-23(24)26(29)30/h3-14,17H,2,15-16,18-19H2,1H3,(H,29,30)
InChIKeyNLXWQWOFRAMDEX-UHFFFAOYSA-N
XLogP4.43
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.50
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[3-[2-[benzyl(ethyl)amino]-2-oxoethoxy]phenyl]ethoxy]benzoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-[3-[2-[(4-tert-butylphenyl)methyl-ethylamino]-2-oxoethoxy]phenyl]ethoxy]benzoic acid
CID 91354514
N-benzyl-2-(3-ethoxyphenoxy)-N-ethylacetamide
CID 112977716
N-benzyl-2-(3-cyanophenoxy)-N-ethylacetamide
CID 7964477
methyl 2-[2-[3-[2-[(2,4-difluorophenyl)methyl-propylamino]-2-oxoethoxy]phenyl]ethoxy]benzoate
CID 90875798
N-benzyl-N-ethyl-2-(2-methoxyphenoxy)acetamide
CID 78762319
N-benzyl-2-(3-chloro-4-fluorophenoxy)-N-ethylacetamide
CID 112778759
2-[ethyl-[2-(3-ethylphenoxy)acetyl]amino]acetic acid
CID 54900937
2-[2-[benzyl-[(4-ethoxyphenyl)methyl]amino]-2-oxoethoxy]-4-methoxybenzoic acid
CID 110076846
2-(3-acetamidophenoxy)-N-benzyl-N-(2-phenylethyl)acetamide
CID 7698005
2-(2-acetamidophenoxy)-N-benzyl-N-ethylacetamide
CID 7867368
2-[2-(3-methoxyphenoxy)ethoxy]benzoic acid
CID 20990666
2-(3-aminophenoxy)-N-ethyl-N-(pyridin-4-ylmethyl)acetamide
CID 61115292

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[2-[benzyl(ethyl)amino]-2-oxoethoxy]phenyl]ethoxy]benzoic acid?
The IUPAC name of 2-[2-[3-[2-[benzyl(ethyl)amino]-2-oxoethoxy]phenyl]ethoxy]benzoic acid (CID 91392337) is 2-[2-[3-[2-[benzyl(ethyl)amino]-2-oxoethoxy]phenyl]ethoxy]benzoic acid.
What is the SMILES notation for 2-[2-[3-[2-[benzyl(ethyl)amino]-2-oxoethoxy]phenyl]ethoxy]benzoic acid?
The canonical SMILES for 2-[2-[3-[2-[benzyl(ethyl)amino]-2-oxoethoxy]phenyl]ethoxy]benzoic acid is CCN(Cc1ccccc1)C(=O)COc1cccc(CCOc2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[2-[3-[2-[benzyl(ethyl)amino]-2-oxoethoxy]phenyl]ethoxy]benzoic acid?
The InChIKey is NLXWQWOFRAMDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO5/c1-2-27(18-21-9-4-3-5-10-21)25(28)19-32-22-12-8-11-20(17-22)15-16-31-24-14-7-6-13-23(24)26(29)30/h3-14,17H,2,15-16,18-19H2,1H3,(H,29,30).
What are the key properties of 2-[2-[3-[2-[benzyl(ethyl)amino]-2-oxoethoxy]phenyl]ethoxy]benzoic acid?
2-[2-[3-[2-[benzyl(ethyl)amino]-2-oxoethoxy]phenyl]ethoxy]benzoic acid has a molecular weight of 433.50 g/mol, XLogP of 4.43, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[2-[benzyl(ethyl)amino]-2-oxoethoxy]phenyl]ethoxy]benzoic acid is sourced from PubChem (CID 91392337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).