3-[2-[4-[(4-methylphenyl)carbamoyl]phenoxy]ethoxy]benzoic acid

C23H21NO5 — CID 22680537

IUPAC3-[2-[4-[(4-methylphenyl)carbamoyl]phenoxy]ethoxy]benzoic acid
SMILESCc1ccc(NC(=O)c2ccc(OCCOc3cccc(C(=O)O)c3)cc2)cc1
InChIInChI=1S/C23H21NO5/c1-16-5-9-19(10-6-16)24-22(25)17-7-11-20(12-8-17)28-13-14-29-21-4-2-3-18(15-21)23(26)27/h2-12,15H,13-14H2,1H3,(H,24,25)(H,26,27)
InChIKeyXXNISRZTMYNGLN-UHFFFAOYSA-N
MW391.42 g/mol
LogP4.40
Rot. Bonds8

About 3-[2-[4-[(4-methylphenyl)carbamoyl]phenoxy]ethoxy]benzoic acid

3-[2-[4-[(4-methylphenyl)carbamoyl]phenoxy]ethoxy]benzoic acid (PubChem CID 22680537) has the molecular formula C23H21NO5 and a molecular weight of 391.42 g/mol. Its IUPAC name is 3-[2-[4-[(4-methylphenyl)carbamoyl]phenoxy]ethoxy]benzoic acid.

Molecular Properties

Compound Name3-[2-[4-[(4-methylphenyl)carbamoyl]phenoxy]ethoxy]benzoic acid
PubChem CID22680537
Molecular FormulaC23H21NO5
Molecular Weight391.42 g/mol
Exact Mass391.14
IUPAC Name3-[2-[4-[(4-methylphenyl)carbamoyl]phenoxy]ethoxy]benzoic acid
SMILESCc1ccc(NC(=O)c2ccc(OCCOc3cccc(C(=O)O)c3)cc2)cc1
InChIInChI=1S/C23H21NO5/c1-16-5-9-19(10-6-16)24-22(25)17-7-11-20(12-8-17)28-13-14-29-21-4-2-3-18(15-21)23(26)27/h2-12,15H,13-14H2,1H3,(H,24,25)(H,26,27)
InChIKeyXXNISRZTMYNGLN-UHFFFAOYSA-N
XLogP4.40
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2-[4-[(4-methylphenyl)carbamoyl]phenoxy]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

3-[3-(4-methylphenoxy)propoxy]benzoic acid
CID 63072752
N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264
N-(4-butoxyphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4955059
3-butoxy-N-(4-heptoxyphenyl)benzamide
CID 4956588
3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4981775
3-[2-(4-methylphenoxy)ethoxy]benzohydrazide
CID 63575513
N-(4-ethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952680
N-(3-methylphenyl)-3-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 26164724
N-(4-benzamidophenyl)-3-(2-ethoxyethoxy)benzamide
CID 17235482
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
3-N-(4-ethoxyphenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056979

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[(4-methylphenyl)carbamoyl]phenoxy]ethoxy]benzoic acid?
The IUPAC name of 3-[2-[4-[(4-methylphenyl)carbamoyl]phenoxy]ethoxy]benzoic acid (CID 22680537) is 3-[2-[4-[(4-methylphenyl)carbamoyl]phenoxy]ethoxy]benzoic acid.
What is the SMILES notation for 3-[2-[4-[(4-methylphenyl)carbamoyl]phenoxy]ethoxy]benzoic acid?
The canonical SMILES for 3-[2-[4-[(4-methylphenyl)carbamoyl]phenoxy]ethoxy]benzoic acid is Cc1ccc(NC(=O)c2ccc(OCCOc3cccc(C(=O)O)c3)cc2)cc1.
What is the InChIKey of 3-[2-[4-[(4-methylphenyl)carbamoyl]phenoxy]ethoxy]benzoic acid?
The InChIKey is XXNISRZTMYNGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO5/c1-16-5-9-19(10-6-16)24-22(25)17-7-11-20(12-8-17)28-13-14-29-21-4-2-3-18(15-21)23(26)27/h2-12,15H,13-14H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 3-[2-[4-[(4-methylphenyl)carbamoyl]phenoxy]ethoxy]benzoic acid?
3-[2-[4-[(4-methylphenyl)carbamoyl]phenoxy]ethoxy]benzoic acid has a molecular weight of 391.42 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[(4-methylphenyl)carbamoyl]phenoxy]ethoxy]benzoic acid is sourced from PubChem (CID 22680537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).