3-[(2,6-dimethoxybenzoyl)amino]-4-methylbenzoic acid

C17H17NO5 — CID 769955

IUPAC3-[(2,6-dimethoxybenzoyl)amino]-4-methylbenzoic acid
SMILESCOc1cccc(OC)c1C(=O)Nc1cc(C(=O)O)ccc1C
InChIInChI=1S/C17H17NO5/c1-10-7-8-11(17(20)21)9-12(10)18-16(19)15-13(22-2)5-4-6-14(15)23-3/h4-9H,1-3H3,(H,18,19)(H,20,21)
InChIKeyKZLZIHWJIJSJJA-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.96
Rot. Bonds5

About 3-[(2,6-dimethoxybenzoyl)amino]-4-methylbenzoic acid

3-[(2,6-dimethoxybenzoyl)amino]-4-methylbenzoic acid (PubChem CID 769955) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is 3-[(2,6-dimethoxybenzoyl)amino]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[(2,6-dimethoxybenzoyl)amino]-4-methylbenzoic acid
PubChem CID769955
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Name3-[(2,6-dimethoxybenzoyl)amino]-4-methylbenzoic acid
SMILESCOc1cccc(OC)c1C(=O)Nc1cc(C(=O)O)ccc1C
InChIInChI=1S/C17H17NO5/c1-10-7-8-11(17(20)21)9-12(10)18-16(19)15-13(22-2)5-4-6-14(15)23-3/h4-9H,1-3H3,(H,18,19)(H,20,21)
InChIKeyKZLZIHWJIJSJJA-UHFFFAOYSA-N
XLogP2.96
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethoxy-N-[2-methyl-5-(phenylcarbamoyl)phenyl]benzamide
CID 154838760
N-(2,5-dimethylphenyl)-2,6-dimethoxybenzamide
CID 2842934
3-[[2-[3-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]-4-methylbenzoic acid
CID 18907980
N-(4-iodo-2,5-dimethylphenyl)-2,6-dimethoxybenzamide
CID 2204890
2,6-dimethoxy-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide
CID 142804897
3-[(2-ethoxybenzoyl)amino]-4-methylbenzoic acid
CID 16789136
3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-4-methylbenzoic acid
CID 119219323
3-[(2-methoxypyridine-3-carbonyl)amino]-4-methylbenzoic acid
CID 43350893
4-methyl-3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzoic acid
CID 45428834
3-acetamido-N-(4,5-dimethoxy-2-methylphenyl)-4-methylbenzamide
CID 46489735
4-methyl-3-(1H-pyrazole-4-carbonylamino)benzoic acid
CID 43565594
methyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate
CID 16604939

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethoxybenzoyl)amino]-4-methylbenzoic acid?
The IUPAC name of 3-[(2,6-dimethoxybenzoyl)amino]-4-methylbenzoic acid (CID 769955) is 3-[(2,6-dimethoxybenzoyl)amino]-4-methylbenzoic acid.
What is the SMILES notation for 3-[(2,6-dimethoxybenzoyl)amino]-4-methylbenzoic acid?
The canonical SMILES for 3-[(2,6-dimethoxybenzoyl)amino]-4-methylbenzoic acid is COc1cccc(OC)c1C(=O)Nc1cc(C(=O)O)ccc1C.
What is the InChIKey of 3-[(2,6-dimethoxybenzoyl)amino]-4-methylbenzoic acid?
The InChIKey is KZLZIHWJIJSJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-10-7-8-11(17(20)21)9-12(10)18-16(19)15-13(22-2)5-4-6-14(15)23-3/h4-9H,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 3-[(2,6-dimethoxybenzoyl)amino]-4-methylbenzoic acid?
3-[(2,6-dimethoxybenzoyl)amino]-4-methylbenzoic acid has a molecular weight of 315.33 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethoxybenzoyl)amino]-4-methylbenzoic acid is sourced from PubChem (CID 769955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).