5-[[(2,6-dimethoxybenzoyl)amino]methyl]-2-methoxybenzoic acid

C18H19NO6 — CID 45384674

IUPAC5-[[(2,6-dimethoxybenzoyl)amino]methyl]-2-methoxybenzoic acid
SMILESCOc1ccc(CNC(=O)c2c(OC)cccc2OC)cc1C(=O)O
InChIInChI=1S/C18H19NO6/c1-23-13-8-7-11(9-12(13)18(21)22)10-19-17(20)16-14(24-2)5-4-6-15(16)25-3/h4-9H,10H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyOPSMTUSJGSYLCE-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.34
Rot. Bonds7

About 5-[[(2,6-dimethoxybenzoyl)amino]methyl]-2-methoxybenzoic acid

5-[[(2,6-dimethoxybenzoyl)amino]methyl]-2-methoxybenzoic acid (PubChem CID 45384674) has the molecular formula C18H19NO6 and a molecular weight of 345.35 g/mol. Its IUPAC name is 5-[[(2,6-dimethoxybenzoyl)amino]methyl]-2-methoxybenzoic acid.

Molecular Properties

Compound Name5-[[(2,6-dimethoxybenzoyl)amino]methyl]-2-methoxybenzoic acid
PubChem CID45384674
Molecular FormulaC18H19NO6
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Name5-[[(2,6-dimethoxybenzoyl)amino]methyl]-2-methoxybenzoic acid
SMILESCOc1ccc(CNC(=O)c2c(OC)cccc2OC)cc1C(=O)O
InChIInChI=1S/C18H19NO6/c1-23-13-8-7-11(9-12(13)18(21)22)10-19-17(20)16-14(24-2)5-4-6-15(16)25-3/h4-9H,10H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyOPSMTUSJGSYLCE-UHFFFAOYSA-N
XLogP2.34
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(2,6-difluorobenzoyl)amino]methyl]-2-methoxybenzoic acid
CID 45384671
2,6-dimethoxy-N-[(4-methoxy-3-methylphenyl)methyl]benzamide
CID 110779766
3-[[(2,6-dimethoxybenzoyl)amino]methyl]benzoic acid
CID 108767636
2,6-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 743463
2-methoxy-5-[[[2-(trifluoromethyl)benzoyl]amino]methyl]benzoic acid
CID 45384591
2-[(4-carboxy-3-fluorophenyl)methylcarbamoyl]-6-methoxybenzoic acid
CID 122575722
N-[(4-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 5216116
5-[[(2-chloro-4,5-difluorobenzoyl)amino]methyl]-2-methoxybenzoic acid
CID 45384785
2-methoxy-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid
CID 77230394
N-[(3-chloro-4-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 110784344
2-methoxy-5-[[(6-methylpyridazine-4-carbonyl)amino]methyl]benzoic acid
CID 166367990
5-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]-2-methoxybenzoic acid
CID 154795566

Frequently Asked Questions

What is the IUPAC name of 5-[[(2,6-dimethoxybenzoyl)amino]methyl]-2-methoxybenzoic acid?
The IUPAC name of 5-[[(2,6-dimethoxybenzoyl)amino]methyl]-2-methoxybenzoic acid (CID 45384674) is 5-[[(2,6-dimethoxybenzoyl)amino]methyl]-2-methoxybenzoic acid.
What is the SMILES notation for 5-[[(2,6-dimethoxybenzoyl)amino]methyl]-2-methoxybenzoic acid?
The canonical SMILES for 5-[[(2,6-dimethoxybenzoyl)amino]methyl]-2-methoxybenzoic acid is COc1ccc(CNC(=O)c2c(OC)cccc2OC)cc1C(=O)O.
What is the InChIKey of 5-[[(2,6-dimethoxybenzoyl)amino]methyl]-2-methoxybenzoic acid?
The InChIKey is OPSMTUSJGSYLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO6/c1-23-13-8-7-11(9-12(13)18(21)22)10-19-17(20)16-14(24-2)5-4-6-15(16)25-3/h4-9H,10H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 5-[[(2,6-dimethoxybenzoyl)amino]methyl]-2-methoxybenzoic acid?
5-[[(2,6-dimethoxybenzoyl)amino]methyl]-2-methoxybenzoic acid has a molecular weight of 345.35 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2,6-dimethoxybenzoyl)amino]methyl]-2-methoxybenzoic acid is sourced from PubChem (CID 45384674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).