N-(4-ethoxyphenyl)-2,4,5-trimethoxybenzamide

C18H21NO5 — CID 912703

IUPACN-(4-ethoxyphenyl)-2,4,5-trimethoxybenzamide
SMILESCCOc1ccc(NC(=O)c2cc(OC)c(OC)cc2OC)cc1
InChIInChI=1S/C18H21NO5/c1-5-24-13-8-6-12(7-9-13)19-18(20)14-10-16(22-3)17(23-4)11-15(14)21-2/h6-11H,5H2,1-4H3,(H,19,20)
InChIKeyWUOQCVKTMFVJDN-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.36
Rot. Bonds7

About N-(4-ethoxyphenyl)-2,4,5-trimethoxybenzamide

N-(4-ethoxyphenyl)-2,4,5-trimethoxybenzamide (PubChem CID 912703) has the molecular formula C18H21NO5 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2,4,5-trimethoxybenzamide
PubChem CID912703
Molecular FormulaC18H21NO5
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC NameN-(4-ethoxyphenyl)-2,4,5-trimethoxybenzamide
SMILESCCOc1ccc(NC(=O)c2cc(OC)c(OC)cc2OC)cc1
InChIInChI=1S/C18H21NO5/c1-5-24-13-8-6-12(7-9-13)19-18(20)14-10-16(22-3)17(23-4)11-15(14)21-2/h6-11H,5H2,1-4H3,(H,19,20)
InChIKeyWUOQCVKTMFVJDN-UHFFFAOYSA-N
XLogP3.36
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-2,4-dimethoxybenzamide
CID 669318
N-(4-ethoxy-3-methoxyphenyl)-2,4,5-trimethoxybenzamide
CID 9103295
2,4,5-trimethoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 131949452
N-(4-ethoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 27843918
N-(4-ethoxyphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 7779984
N-[4-(4-ethoxyphenoxy)phenyl]-2-methoxybenzamide
CID 7925290
N-(4-butylphenyl)-2,4,5-trimethoxybenzamide
CID 9442098
N-[4-(4-ethoxyphenoxy)phenyl]-2,3,4-trimethoxybenzamide
CID 24636994
2,4,5-trimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 4793592
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2,4,5-trimethoxybenzohydrazide
CID 9343633
N-(3,5-dimethoxyphenyl)-2,4,5-trimethoxybenzamide
CID 2200296
N-(4-ethoxyphenyl)-2-methoxy-3-methylbenzamide
CID 883648

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2,4,5-trimethoxybenzamide?
The IUPAC name of N-(4-ethoxyphenyl)-2,4,5-trimethoxybenzamide (CID 912703) is N-(4-ethoxyphenyl)-2,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2,4,5-trimethoxybenzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2,4,5-trimethoxybenzamide is CCOc1ccc(NC(=O)c2cc(OC)c(OC)cc2OC)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2,4,5-trimethoxybenzamide?
The InChIKey is WUOQCVKTMFVJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5/c1-5-24-13-8-6-12(7-9-13)19-18(20)14-10-16(22-3)17(23-4)11-15(14)21-2/h6-11H,5H2,1-4H3,(H,19,20).
What are the key properties of N-(4-ethoxyphenyl)-2,4,5-trimethoxybenzamide?
N-(4-ethoxyphenyl)-2,4,5-trimethoxybenzamide has a molecular weight of 331.37 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2,4,5-trimethoxybenzamide is sourced from PubChem (CID 912703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).