2-methyl-4-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzoic acid

C19H21NO6 — CID 119240417

IUPAC2-methyl-4-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzoic acid
SMILESCOc1cc(CC(=O)Nc2ccc(C(=O)O)c(C)c2)cc(OC)c1OC
InChIInChI=1S/C19H21NO6/c1-11-7-13(5-6-14(11)19(22)23)20-17(21)10-12-8-15(24-2)18(26-4)16(9-12)25-3/h5-9H,10H2,1-4H3,(H,20,21)(H,22,23)
InChIKeyHPDYSRYGKURQIJ-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.90
Rot. Bonds7

About 2-methyl-4-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzoic acid

2-methyl-4-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzoic acid (PubChem CID 119240417) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is 2-methyl-4-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-methyl-4-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzoic acid
PubChem CID119240417
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name2-methyl-4-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzoic acid
SMILESCOc1cc(CC(=O)Nc2ccc(C(=O)O)c(C)c2)cc(OC)c1OC
InChIInChI=1S/C19H21NO6/c1-11-7-13(5-6-14(11)19(22)23)20-17(21)10-12-8-15(24-2)18(26-4)16(9-12)25-3/h5-9H,10H2,1-4H3,(H,20,21)(H,22,23)
InChIKeyHPDYSRYGKURQIJ-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

N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 4884121
N-(4-acetylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2597337
N-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2665020
2-methyl-4-[(3,4,5-trimethoxyphenyl)methoxymethyl]benzoic acid
CID 70358433
N-pyridin-4-yl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 27700068
4-methyl-3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzoic acid
CID 45428834
2-[2-fluoro-4-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid
CID 122110129
2-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid
CID 119351773
N-(4-phenoxyphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7914938
N-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]propanamide
CID 39991372
2-(3-methoxy-4-methylphenyl)-N-(4-methoxy-3-methylphenyl)acetamide
CID 87032377
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2334921

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzoic acid?
The IUPAC name of 2-methyl-4-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzoic acid (CID 119240417) is 2-methyl-4-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzoic acid.
What is the SMILES notation for 2-methyl-4-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzoic acid?
The canonical SMILES for 2-methyl-4-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzoic acid is COc1cc(CC(=O)Nc2ccc(C(=O)O)c(C)c2)cc(OC)c1OC.
What is the InChIKey of 2-methyl-4-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzoic acid?
The InChIKey is HPDYSRYGKURQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6/c1-11-7-13(5-6-14(11)19(22)23)20-17(21)10-12-8-15(24-2)18(26-4)16(9-12)25-3/h5-9H,10H2,1-4H3,(H,20,21)(H,22,23).
What are the key properties of 2-methyl-4-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzoic acid?
2-methyl-4-[[2-(3,4,5-trimethoxyphenyl)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 2-methyl-4-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzoic acid is sourced from PubChem (CID 119240417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).