3-[(2,3-dimethoxybenzoyl)amino]-4-propan-2-yloxybenzoic acid

C19H21NO6 — CID 119196298

IUPAC3-[(2,3-dimethoxybenzoyl)amino]-4-propan-2-yloxybenzoic acid
SMILESCOc1cccc(C(=O)Nc2cc(C(=O)O)ccc2OC(C)C)c1OC
InChIInChI=1S/C19H21NO6/c1-11(2)26-15-9-8-12(19(22)23)10-14(15)20-18(21)13-6-5-7-16(24-3)17(13)25-4/h5-11H,1-4H3,(H,20,21)(H,22,23)
InChIKeyKOIHJPCMZXFJOU-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.44
Rot. Bonds7

About 3-[(2,3-dimethoxybenzoyl)amino]-4-propan-2-yloxybenzoic acid

3-[(2,3-dimethoxybenzoyl)amino]-4-propan-2-yloxybenzoic acid (PubChem CID 119196298) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is 3-[(2,3-dimethoxybenzoyl)amino]-4-propan-2-yloxybenzoic acid.

Molecular Properties

Compound Name3-[(2,3-dimethoxybenzoyl)amino]-4-propan-2-yloxybenzoic acid
PubChem CID119196298
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name3-[(2,3-dimethoxybenzoyl)amino]-4-propan-2-yloxybenzoic acid
SMILESCOc1cccc(C(=O)Nc2cc(C(=O)O)ccc2OC(C)C)c1OC
InChIInChI=1S/C19H21NO6/c1-11(2)26-15-9-8-12(19(22)23)10-14(15)20-18(21)13-6-5-7-16(24-3)17(13)25-4/h5-11H,1-4H3,(H,20,21)(H,22,23)
InChIKeyKOIHJPCMZXFJOU-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2,3-dimethylbenzoyl)amino]-4-propan-2-yloxybenzoic acid
CID 119196243
4-methoxy-3-(naphthalene-1-carbonylamino)benzoic acid
CID 28668454
4-propan-2-yloxy-3-[(6-propan-2-yloxypyridine-2-carbonyl)amino]benzoic acid
CID 120517846
4-[(5-carboxy-2-methoxyphenyl)carbamoyl]benzene-1,3-dicarboxylic acid
CID 53269765
N-(5-formyl-2-propan-2-yloxyphenyl)-2-methoxybenzamide
CID 94763058
3,4,5-trimethoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 673819
2,3-dimethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide
CID 100531207
3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]-4-propan-2-yloxybenzoic acid
CID 119196672
2,3,4-trimethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide
CID 7972045
2,3-dimethoxy-N-(3-methoxyphenyl)benzamide
CID 912443
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,3-dimethoxybenzamide
CID 95903703
3-[[2-(2,6-dimethylphenyl)acetyl]amino]-4-propan-2-yloxybenzoic acid
CID 120686173

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethoxybenzoyl)amino]-4-propan-2-yloxybenzoic acid?
The IUPAC name of 3-[(2,3-dimethoxybenzoyl)amino]-4-propan-2-yloxybenzoic acid (CID 119196298) is 3-[(2,3-dimethoxybenzoyl)amino]-4-propan-2-yloxybenzoic acid.
What is the SMILES notation for 3-[(2,3-dimethoxybenzoyl)amino]-4-propan-2-yloxybenzoic acid?
The canonical SMILES for 3-[(2,3-dimethoxybenzoyl)amino]-4-propan-2-yloxybenzoic acid is COc1cccc(C(=O)Nc2cc(C(=O)O)ccc2OC(C)C)c1OC.
What is the InChIKey of 3-[(2,3-dimethoxybenzoyl)amino]-4-propan-2-yloxybenzoic acid?
The InChIKey is KOIHJPCMZXFJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6/c1-11(2)26-15-9-8-12(19(22)23)10-14(15)20-18(21)13-6-5-7-16(24-3)17(13)25-4/h5-11H,1-4H3,(H,20,21)(H,22,23).
What are the key properties of 3-[(2,3-dimethoxybenzoyl)amino]-4-propan-2-yloxybenzoic acid?
3-[(2,3-dimethoxybenzoyl)amino]-4-propan-2-yloxybenzoic acid has a molecular weight of 359.38 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethoxybenzoyl)amino]-4-propan-2-yloxybenzoic acid is sourced from PubChem (CID 119196298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).