4-methoxy-3-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]benzoic acid

C24H25NO5 — CID 17058758

IUPAC4-methoxy-3-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1NCc1cccc(OC)c1OCc1ccc(C)cc1
InChIInChI=1S/C24H25NO5/c1-16-7-9-17(10-8-16)15-30-23-19(5-4-6-22(23)29-3)14-25-20-13-18(24(26)27)11-12-21(20)28-2/h4-13,25H,14-15H2,1-3H3,(H,26,27)
InChIKeyXERZOPYOQRWOER-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.90
Rot. Bonds9

About 4-methoxy-3-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]benzoic acid

4-methoxy-3-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]benzoic acid (PubChem CID 17058758) has the molecular formula C24H25NO5 and a molecular weight of 407.47 g/mol. Its IUPAC name is 4-methoxy-3-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]benzoic acid
PubChem CID17058758
Molecular FormulaC24H25NO5
Molecular Weight407.47 g/mol
Exact Mass407.17
IUPAC Name4-methoxy-3-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1NCc1cccc(OC)c1OCc1ccc(C)cc1
InChIInChI=1S/C24H25NO5/c1-16-7-9-17(10-8-16)15-30-23-19(5-4-6-22(23)29-3)14-25-20-13-18(24(26)27)11-12-21(20)28-2/h4-13,25H,14-15H2,1-3H3,(H,26,27)
InChIKeyXERZOPYOQRWOER-UHFFFAOYSA-N
XLogP4.90
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-3-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]benzoic acid with MolForge

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Related Compounds

4-[(2-ethoxy-3-methoxyphenyl)methylamino]-3-methylbenzoic acid
CID 17059596
4-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-4-oxobutanoic acid
CID 20987474
3-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methylamino]-4-methoxybenzoic acid
CID 66543152
3-[(2-hydroxy-5-methylphenyl)methylamino]-4-methoxybenzoic acid
CID 63743460
3-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]-4-methoxybenzoic acid
CID 17059187
3-[[2-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]-4-methoxybenzoic acid
CID 66541112
4-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-3-methylbenzoic acid
CID 17058448
3-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid
CID 17058964
3-[[6-bromo-2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-4-methoxybenzoic acid
CID 66544417
4-[[2-[(2,4-dimethylanilino)methyl]phenoxy]methyl]benzoic acid
CID 126124769
3-[[2-chloro-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]-4-methoxybenzoic acid
CID 66540182
3-[[6-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-2-methylbenzoic acid
CID 66543878

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]benzoic acid?
The IUPAC name of 4-methoxy-3-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]benzoic acid (CID 17058758) is 4-methoxy-3-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]benzoic acid.
What is the SMILES notation for 4-methoxy-3-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]benzoic acid?
The canonical SMILES for 4-methoxy-3-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]benzoic acid is COc1ccc(C(=O)O)cc1NCc1cccc(OC)c1OCc1ccc(C)cc1.
What is the InChIKey of 4-methoxy-3-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]benzoic acid?
The InChIKey is XERZOPYOQRWOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5/c1-16-7-9-17(10-8-16)15-30-23-19(5-4-6-22(23)29-3)14-25-20-13-18(24(26)27)11-12-21(20)28-2/h4-13,25H,14-15H2,1-3H3,(H,26,27).
What are the key properties of 4-methoxy-3-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]benzoic acid?
4-methoxy-3-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]benzoic acid has a molecular weight of 407.47 g/mol, XLogP of 4.90, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]benzoic acid is sourced from PubChem (CID 17058758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).