2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-4,5-dimethoxybenzoic acid

C19H21NO6 — CID 1342326

IUPAC2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-4,5-dimethoxybenzoic acid
SMILESCOc1cc(NC(=O)COc2cc(C)ccc2C)c(C(=O)O)cc1OC
InChIInChI=1S/C19H21NO6/c1-11-5-6-12(2)15(7-11)26-10-18(21)20-14-9-17(25-4)16(24-3)8-13(14)19(22)23/h5-9H,10H2,1-4H3,(H,20,21)(H,22,23)
InChIKeyKXKFUBQGNSGAJF-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.04
Rot. Bonds7

About 2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-4,5-dimethoxybenzoic acid

2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-4,5-dimethoxybenzoic acid (PubChem CID 1342326) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is 2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-4,5-dimethoxybenzoic acid.

Molecular Properties

Compound Name2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-4,5-dimethoxybenzoic acid
PubChem CID1342326
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-4,5-dimethoxybenzoic acid
SMILESCOc1cc(NC(=O)COc2cc(C)ccc2C)c(C(=O)O)cc1OC
InChIInChI=1S/C19H21NO6/c1-11-5-6-12(2)15(7-11)26-10-18(21)20-14-9-17(25-4)16(24-3)8-13(14)19(22)23/h5-9H,10H2,1-4H3,(H,20,21)(H,22,23)
InChIKeyKXKFUBQGNSGAJF-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 807483
4-chloro-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoic acid
CID 882599
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-4,5-dimethoxybenzoic acid
CID 119214279
2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide
CID 1012654
methyl 4,5-dimethoxy-2-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 8801664
2-(2,5-dimethylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 35728477
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2,5-dimethylphenoxy)acetamide
CID 18170352
4-chloro-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate
CID 7334375
2-(2,5-dimethylphenoxy)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 2911367
3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-4-methoxybenzoic acid
CID 28675994
2-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
CID 119231516
N-(4-chloro-2-methylphenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 2627654

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-4,5-dimethoxybenzoic acid?
The IUPAC name of 2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-4,5-dimethoxybenzoic acid (CID 1342326) is 2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-4,5-dimethoxybenzoic acid.
What is the SMILES notation for 2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-4,5-dimethoxybenzoic acid?
The canonical SMILES for 2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-4,5-dimethoxybenzoic acid is COc1cc(NC(=O)COc2cc(C)ccc2C)c(C(=O)O)cc1OC.
What is the InChIKey of 2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-4,5-dimethoxybenzoic acid?
The InChIKey is KXKFUBQGNSGAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6/c1-11-5-6-12(2)15(7-11)26-10-18(21)20-14-9-17(25-4)16(24-3)8-13(14)19(22)23/h5-9H,10H2,1-4H3,(H,20,21)(H,22,23).
What are the key properties of 2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-4,5-dimethoxybenzoic acid?
2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-4,5-dimethoxybenzoic acid has a molecular weight of 359.38 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-4,5-dimethoxybenzoic acid is sourced from PubChem (CID 1342326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).