2,6-dimethyl-3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid

C18H19NO3 — CID 157035885

IUPAC2,6-dimethyl-3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid
SMILESCc1cccc(CC(=O)Nc2ccc(C)c(C(=O)O)c2C)c1
InChIInChI=1S/C18H19NO3/c1-11-5-4-6-14(9-11)10-16(20)19-15-8-7-12(2)17(13(15)3)18(21)22/h4-9H,10H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyDTACWPIYVWIHMT-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.49
Rot. Bonds4

About 2,6-dimethyl-3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid

2,6-dimethyl-3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid (PubChem CID 157035885) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2,6-dimethyl-3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2,6-dimethyl-3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid
PubChem CID157035885
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name2,6-dimethyl-3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid
SMILESCc1cccc(CC(=O)Nc2ccc(C)c(C(=O)O)c2C)c1
InChIInChI=1S/C18H19NO3/c1-11-5-4-6-14(9-11)10-16(20)19-15-8-7-12(2)17(13(15)3)18(21)22/h4-9H,10H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyDTACWPIYVWIHMT-UHFFFAOYSA-N
XLogP3.49
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylphenyl)-N-phenylacetamide
CID 6470005
3-[[2-(3-methylphenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740367
N-(4-chloro-2-fluorophenyl)-2-(3-methylphenyl)acetamide
CID 6464374
3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid
CID 17127022
N-(3,5-dimethylphenyl)-2-(3-methylphenyl)acetamide
CID 11839743
2-(3-chlorophenyl)-N-(3-hydroxy-2,4-dimethylphenyl)acetamide
CID 122133355
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate
CID 71822788
N-(2,3-dimethylphenyl)-2-(3,4-dimethylphenyl)acetamide
CID 2599603
2-methyl-3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]benzoic acid
CID 9326313
N-(2-carbamothioyl-3-fluorophenyl)-2-(3-methylphenyl)acetamide
CID 62387868
N-(2-hydroxy-4-nitrophenyl)-2-(3-methylphenyl)acetamide
CID 107745566
2-[[2-(3-methoxyphenyl)acetyl]amino]-5-methylbenzoic acid
CID 43823093

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid?
The IUPAC name of 2,6-dimethyl-3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid (CID 157035885) is 2,6-dimethyl-3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid.
What is the SMILES notation for 2,6-dimethyl-3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid?
The canonical SMILES for 2,6-dimethyl-3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid is Cc1cccc(CC(=O)Nc2ccc(C)c(C(=O)O)c2C)c1.
What is the InChIKey of 2,6-dimethyl-3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid?
The InChIKey is DTACWPIYVWIHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-11-5-4-6-14(9-11)10-16(20)19-15-8-7-12(2)17(13(15)3)18(21)22/h4-9H,10H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 2,6-dimethyl-3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid?
2,6-dimethyl-3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid has a molecular weight of 297.35 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid is sourced from PubChem (CID 157035885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).