3,4-dimethoxy-5-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]benzoic acid

C19H21NO6 — CID 119214247

IUPAC3,4-dimethoxy-5-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]benzoic acid
SMILESCOc1ccc(C)cc1CC(=O)Nc1cc(C(=O)O)cc(OC)c1OC
InChIInChI=1S/C19H21NO6/c1-11-5-6-15(24-2)12(7-11)10-17(21)20-14-8-13(19(22)23)9-16(25-3)18(14)26-4/h5-9H,10H2,1-4H3,(H,20,21)(H,22,23)
InChIKeyPZVFOHSFONZMOE-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.90
Rot. Bonds7

About 3,4-dimethoxy-5-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]benzoic acid

3,4-dimethoxy-5-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]benzoic acid (PubChem CID 119214247) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is 3,4-dimethoxy-5-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name3,4-dimethoxy-5-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]benzoic acid
PubChem CID119214247
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name3,4-dimethoxy-5-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]benzoic acid
SMILESCOc1ccc(C)cc1CC(=O)Nc1cc(C(=O)O)cc(OC)c1OC
InChIInChI=1S/C19H21NO6/c1-11-5-6-15(24-2)12(7-11)10-17(21)20-14-8-13(19(22)23)9-16(25-3)18(14)26-4/h5-9H,10H2,1-4H3,(H,20,21)(H,22,23)
InChIKeyPZVFOHSFONZMOE-UHFFFAOYSA-N
XLogP2.90
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-4,5-dimethoxybenzoic acid
CID 119214279
3,4-dimethoxy-5-[(2-methoxyacetyl)amino]benzoic acid
CID 119214277
2-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 39969431
3,4-dimethoxy-5-(pent-4-enoylamino)benzoic acid
CID 119214233
3-(5,5-dimethylhexanoylamino)-4,5-dimethoxybenzoic acid
CID 119214383
4-methyl-3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzoic acid
CID 45428834
3-[[2-(4-tert-butylphenoxy)acetyl]amino]-4,5-dimethoxybenzoic acid
CID 119214278
3-[(2-hydroxy-5-methylphenyl)methylamino]-4-methoxybenzoic acid
CID 63743460
3,4-dimethoxy-5-[(4-methyl-4-phenylpentanoyl)amino]benzoic acid
CID 120521326
2-(2-methoxy-5-methylphenyl)-N-(3-methylphenyl)acetamide
CID 9039136
2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid
CID 43241710
3-[(2-methoxy-5-methylphenyl)methylamino]-3-oxopropanoic acid
CID 115163375

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-5-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]benzoic acid?
The IUPAC name of 3,4-dimethoxy-5-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]benzoic acid (CID 119214247) is 3,4-dimethoxy-5-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]benzoic acid.
What is the SMILES notation for 3,4-dimethoxy-5-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]benzoic acid?
The canonical SMILES for 3,4-dimethoxy-5-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]benzoic acid is COc1ccc(C)cc1CC(=O)Nc1cc(C(=O)O)cc(OC)c1OC.
What is the InChIKey of 3,4-dimethoxy-5-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]benzoic acid?
The InChIKey is PZVFOHSFONZMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6/c1-11-5-6-15(24-2)12(7-11)10-17(21)20-14-8-13(19(22)23)9-16(25-3)18(14)26-4/h5-9H,10H2,1-4H3,(H,20,21)(H,22,23).
What are the key properties of 3,4-dimethoxy-5-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]benzoic acid?
3,4-dimethoxy-5-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]benzoic acid has a molecular weight of 359.38 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-5-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]benzoic acid is sourced from PubChem (CID 119214247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).