2-methoxy-6-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-methylamino]methyl]benzoic acid

C26H28N2O5 — CID 72551589

IUPAC2-methoxy-6-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-methylamino]methyl]benzoic acid
SMILESCOc1ccc(CNC(=O)c2ccccc2CN(C)Cc2cccc(OC)c2C(=O)O)cc1
InChIInChI=1S/C26H28N2O5/c1-28(17-20-8-6-10-23(33-3)24(20)26(30)31)16-19-7-4-5-9-22(19)25(29)27-15-18-11-13-21(32-2)14-12-18/h4-14H,15-17H2,1-3H3,(H,27,29)(H,30,31)
InChIKeyOZXTYFPVKCOLRF-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.96
Rot. Bonds10

About 2-methoxy-6-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-methylamino]methyl]benzoic acid

2-methoxy-6-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-methylamino]methyl]benzoic acid (PubChem CID 72551589) has the molecular formula C26H28N2O5 and a molecular weight of 448.52 g/mol. Its IUPAC name is 2-methoxy-6-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-methylamino]methyl]benzoic acid.

Molecular Properties

Compound Name2-methoxy-6-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-methylamino]methyl]benzoic acid
PubChem CID72551589
Molecular FormulaC26H28N2O5
Molecular Weight448.52 g/mol
Exact Mass448.20
IUPAC Name2-methoxy-6-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-methylamino]methyl]benzoic acid
SMILESCOc1ccc(CNC(=O)c2ccccc2CN(C)Cc2cccc(OC)c2C(=O)O)cc1
InChIInChI=1S/C26H28N2O5/c1-28(17-20-8-6-10-23(33-3)24(20)26(30)31)16-19-7-4-5-9-22(19)25(29)27-15-18-11-13-21(32-2)14-12-18/h4-14H,15-17H2,1-3H3,(H,27,29)(H,30,31)
InChIKeyOZXTYFPVKCOLRF-UHFFFAOYSA-N
XLogP3.96
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-6-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-methylamino]methyl]benzoic acid with MolForge

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Related Compounds

2-[[(4-methoxyphenyl)methyl-methylamino]methyl]benzoic acid
CID 61418111
N-[(4-methoxyphenyl)methyl]-2-(2-phenylacetyl)benzamide
CID 1274362
2-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 46586786
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
2-[(4-carboxy-3-fluorophenyl)methylcarbamoyl]-6-methoxybenzoic acid
CID 122575722
N-[(4-methoxyphenyl)methyl]-2-[2-(methylamino)-2-oxoethoxy]benzamide
CID 38113686
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-methoxybenzamide
CID 24661049
2-acetamido-N-[(4-methoxyphenyl)methyl]benzamide
CID 3350357
N-[(2,3-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 46590636
N-[(4-methoxyphenyl)methyl]-2-methylsulfonylbenzamide
CID 7959595
N-[(2,3-dimethoxyphenyl)methyl]naphthalene-1-carboxamide
CID 46590604
2-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2544461

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-methylamino]methyl]benzoic acid?
The IUPAC name of 2-methoxy-6-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-methylamino]methyl]benzoic acid (CID 72551589) is 2-methoxy-6-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-methylamino]methyl]benzoic acid.
What is the SMILES notation for 2-methoxy-6-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-methylamino]methyl]benzoic acid?
The canonical SMILES for 2-methoxy-6-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-methylamino]methyl]benzoic acid is COc1ccc(CNC(=O)c2ccccc2CN(C)Cc2cccc(OC)c2C(=O)O)cc1.
What is the InChIKey of 2-methoxy-6-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-methylamino]methyl]benzoic acid?
The InChIKey is OZXTYFPVKCOLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5/c1-28(17-20-8-6-10-23(33-3)24(20)26(30)31)16-19-7-4-5-9-22(19)25(29)27-15-18-11-13-21(32-2)14-12-18/h4-14H,15-17H2,1-3H3,(H,27,29)(H,30,31).
What are the key properties of 2-methoxy-6-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-methylamino]methyl]benzoic acid?
2-methoxy-6-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-methylamino]methyl]benzoic acid has a molecular weight of 448.52 g/mol, XLogP of 3.96, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-methylamino]methyl]benzoic acid is sourced from PubChem (CID 72551589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).