N-(4-ethoxyphenyl)-2,6-dimethoxybenzamide

C17H19NO4 — CID 668882

IUPACN-(4-ethoxyphenyl)-2,6-dimethoxybenzamide
SMILESCCOc1ccc(NC(=O)c2c(OC)cccc2OC)cc1
InChIInChI=1S/C17H19NO4/c1-4-22-13-10-8-12(9-11-13)18-17(19)16-14(20-2)6-5-7-15(16)21-3/h5-11H,4H2,1-3H3,(H,18,19)
InChIKeyCRFSBZRCXJRDLX-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.35
Rot. Bonds6

About N-(4-ethoxyphenyl)-2,6-dimethoxybenzamide

N-(4-ethoxyphenyl)-2,6-dimethoxybenzamide (PubChem CID 668882) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2,6-dimethoxybenzamide
PubChem CID668882
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC NameN-(4-ethoxyphenyl)-2,6-dimethoxybenzamide
SMILESCCOc1ccc(NC(=O)c2c(OC)cccc2OC)cc1
InChIInChI=1S/C17H19NO4/c1-4-22-13-10-8-12(9-11-13)18-17(19)16-14(20-2)6-5-7-15(16)21-3/h5-11H,4H2,1-3H3,(H,18,19)
InChIKeyCRFSBZRCXJRDLX-UHFFFAOYSA-N
XLogP3.35
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2,6-dimethoxybenzamide?
The IUPAC name of N-(4-ethoxyphenyl)-2,6-dimethoxybenzamide (CID 668882) is N-(4-ethoxyphenyl)-2,6-dimethoxybenzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2,6-dimethoxybenzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2,6-dimethoxybenzamide is CCOc1ccc(NC(=O)c2c(OC)cccc2OC)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2,6-dimethoxybenzamide?
The InChIKey is CRFSBZRCXJRDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-4-22-13-10-8-12(9-11-13)18-17(19)16-14(20-2)6-5-7-15(16)21-3/h5-11H,4H2,1-3H3,(H,18,19).
What are the key properties of N-(4-ethoxyphenyl)-2,6-dimethoxybenzamide?
N-(4-ethoxyphenyl)-2,6-dimethoxybenzamide has a molecular weight of 301.34 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2,6-dimethoxybenzamide is sourced from PubChem (CID 668882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).