3-[(2-ethoxybenzoyl)amino]-4-methylbenzoic acid

C17H17NO4 — CID 16789136

IUPAC3-[(2-ethoxybenzoyl)amino]-4-methylbenzoic acid
SMILESCCOc1ccccc1C(=O)Nc1cc(C(=O)O)ccc1C
InChIInChI=1S/C17H17NO4/c1-3-22-15-7-5-4-6-13(15)16(19)18-14-10-12(17(20)21)9-8-11(14)2/h4-10H,3H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyMDQUHMHVMUINOZ-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.34
Rot. Bonds5

About 3-[(2-ethoxybenzoyl)amino]-4-methylbenzoic acid

3-[(2-ethoxybenzoyl)amino]-4-methylbenzoic acid (PubChem CID 16789136) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-[(2-ethoxybenzoyl)amino]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[(2-ethoxybenzoyl)amino]-4-methylbenzoic acid
PubChem CID16789136
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name3-[(2-ethoxybenzoyl)amino]-4-methylbenzoic acid
SMILESCCOc1ccccc1C(=O)Nc1cc(C(=O)O)ccc1C
InChIInChI=1S/C17H17NO4/c1-3-22-15-7-5-4-6-13(15)16(19)18-14-10-12(17(20)21)9-8-11(14)2/h4-10H,3H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyMDQUHMHVMUINOZ-UHFFFAOYSA-N
XLogP3.34
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(aminomethyl)benzoyl]amino]-4-methylbenzoic acid
CID 82546270
2-ethoxy-N-[4-[4-[(2-ethoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4556792
3-[(2-ethoxyphenyl)methylamino]-4-methylbenzoic acid
CID 17059260
6-[(2-ethoxybenzoyl)amino]pyridine-3-carboxylic acid
CID 61319184
2-ethoxy-N-(4-hydroxy-2-methylphenyl)benzamide
CID 1234633
N-(2,5-dimethylphenyl)-2-propoxybenzamide
CID 4947833
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-ethoxybenzamide
CID 7483175
3-carboxy-4-[(2-ethoxybenzoyl)amino]phenolate
CID 54689492
N-(5-acetyl-2-ethoxyphenyl)-2-methylbenzamide
CID 82156333
5-[[3-carboxy-4-[(2-ethoxybenzoyl)amino]phenyl]methyl]-2-[(2-ethoxybenzoyl)amino]benzoic acid
CID 17296846
3-[(2,6-dimethoxybenzoyl)amino]-4-methylbenzoic acid
CID 769955
N-(4-benzamido-2,5-diethoxyphenyl)-2-methylbenzamide
CID 1051986

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxybenzoyl)amino]-4-methylbenzoic acid?
The IUPAC name of 3-[(2-ethoxybenzoyl)amino]-4-methylbenzoic acid (CID 16789136) is 3-[(2-ethoxybenzoyl)amino]-4-methylbenzoic acid.
What is the SMILES notation for 3-[(2-ethoxybenzoyl)amino]-4-methylbenzoic acid?
The canonical SMILES for 3-[(2-ethoxybenzoyl)amino]-4-methylbenzoic acid is CCOc1ccccc1C(=O)Nc1cc(C(=O)O)ccc1C.
What is the InChIKey of 3-[(2-ethoxybenzoyl)amino]-4-methylbenzoic acid?
The InChIKey is MDQUHMHVMUINOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-3-22-15-7-5-4-6-13(15)16(19)18-14-10-12(17(20)21)9-8-11(14)2/h4-10H,3H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 3-[(2-ethoxybenzoyl)amino]-4-methylbenzoic acid?
3-[(2-ethoxybenzoyl)amino]-4-methylbenzoic acid has a molecular weight of 299.33 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxybenzoyl)amino]-4-methylbenzoic acid is sourced from PubChem (CID 16789136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).