methyl 3-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]amino]-2-hydroxybenzoate

C23H22N2O6 — CID 56576167

IUPACmethyl 3-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]amino]-2-hydroxybenzoate
SMILESCCOc1cc(C(=O)Nc2cccc(C(=O)OC)c2O)ccc1OCc1ccncc1
InChIInChI=1S/C23H22N2O6/c1-3-30-20-13-16(7-8-19(20)31-14-15-9-11-24-12-10-15)22(27)25-18-6-4-5-17(21(18)26)23(28)29-2/h4-13,26H,3,14H2,1-2H3,(H,25,27)
InChIKeyQHLWBEURSHQRBI-UHFFFAOYSA-N
MW422.44 g/mol
LogP3.80
Rot. Bonds8

About methyl 3-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]amino]-2-hydroxybenzoate

methyl 3-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]amino]-2-hydroxybenzoate (PubChem CID 56576167) has the molecular formula C23H22N2O6 and a molecular weight of 422.44 g/mol. Its IUPAC name is methyl 3-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]amino]-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 3-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]amino]-2-hydroxybenzoate
PubChem CID56576167
Molecular FormulaC23H22N2O6
Molecular Weight422.44 g/mol
Exact Mass422.15
IUPAC Namemethyl 3-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]amino]-2-hydroxybenzoate
SMILESCCOc1cc(C(=O)Nc2cccc(C(=O)OC)c2O)ccc1OCc1ccncc1
InChIInChI=1S/C23H22N2O6/c1-3-30-20-13-16(7-8-19(20)31-14-15-9-11-24-12-10-15)22(27)25-18-6-4-5-17(21(18)26)23(28)29-2/h4-13,26H,3,14H2,1-2H3,(H,25,27)
InChIKeyQHLWBEURSHQRBI-UHFFFAOYSA-N
XLogP3.80
TPSA106.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimethylphenyl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 25337421
methyl 2-hydroxy-3-[(2-phenylmethoxypyridine-4-carbonyl)amino]benzoate
CID 56543998
3-ethoxy-N'-(4-ethylbenzoyl)-4-(pyridin-4-ylmethoxy)benzohydrazide
CID 55576010
3-ethoxy-N-(2-methoxyphenyl)-4-phenylmethoxybenzamide
CID 126087524
methyl 2-hydroxy-3-[(4-phenylmethoxybenzoyl)amino]benzoate
CID 56576232
N-(2-ethoxy-3-pyridinyl)-3-methoxy-4-phenylmethoxybenzamide
CID 34876331
3-ethoxy-N-(1-methylpyrazol-3-yl)-4-(pyridin-4-ylmethoxy)benzamide
CID 39681534
3,4-diethoxy-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 34752310
3-ethoxy-N-(3-hydroxyphenyl)-4-phenylmethoxybenzamide
CID 126089788
N-[2-(3,4-diethoxyphenyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 46535133
methyl 3-methoxy-4-(pyridin-4-ylmethoxy)benzoate
CID 16785387
N-(5-acetamido-2-methoxyphenyl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 39106187

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]amino]-2-hydroxybenzoate?
The IUPAC name of methyl 3-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]amino]-2-hydroxybenzoate (CID 56576167) is methyl 3-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]amino]-2-hydroxybenzoate.
What is the SMILES notation for methyl 3-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]amino]-2-hydroxybenzoate?
The canonical SMILES for methyl 3-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]amino]-2-hydroxybenzoate is CCOc1cc(C(=O)Nc2cccc(C(=O)OC)c2O)ccc1OCc1ccncc1.
What is the InChIKey of methyl 3-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]amino]-2-hydroxybenzoate?
The InChIKey is QHLWBEURSHQRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O6/c1-3-30-20-13-16(7-8-19(20)31-14-15-9-11-24-12-10-15)22(27)25-18-6-4-5-17(21(18)26)23(28)29-2/h4-13,26H,3,14H2,1-2H3,(H,25,27).
What are the key properties of methyl 3-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]amino]-2-hydroxybenzoate?
methyl 3-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]amino]-2-hydroxybenzoate has a molecular weight of 422.44 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]amino]-2-hydroxybenzoate is sourced from PubChem (CID 56576167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).