N-(3,5-dimethoxyphenyl)-2,4,5-trimethoxybenzamide

C18H21NO6 — CID 2200296

IUPACN-(3,5-dimethoxyphenyl)-2,4,5-trimethoxybenzamide
SMILESCOc1cc(NC(=O)c2cc(OC)c(OC)cc2OC)cc(OC)c1
InChIInChI=1S/C18H21NO6/c1-21-12-6-11(7-13(8-12)22-2)19-18(20)14-9-16(24-4)17(25-5)10-15(14)23-3/h6-10H,1-5H3,(H,19,20)
InChIKeyHOPZSGWWGFZCMD-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.98
Rot. Bonds7

About N-(3,5-dimethoxyphenyl)-2,4,5-trimethoxybenzamide

N-(3,5-dimethoxyphenyl)-2,4,5-trimethoxybenzamide (PubChem CID 2200296) has the molecular formula C18H21NO6 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2,4,5-trimethoxybenzamide
PubChem CID2200296
Molecular FormulaC18H21NO6
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC NameN-(3,5-dimethoxyphenyl)-2,4,5-trimethoxybenzamide
SMILESCOc1cc(NC(=O)c2cc(OC)c(OC)cc2OC)cc(OC)c1
InChIInChI=1S/C18H21NO6/c1-21-12-6-11(7-13(8-12)22-2)19-18(20)14-9-16(24-4)17(25-5)10-15(14)23-3/h6-10H,1-5H3,(H,19,20)
InChIKeyHOPZSGWWGFZCMD-UHFFFAOYSA-N
XLogP2.98
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dichloro-N-(3,5-dimethoxyphenyl)thiophene-3-carboxamide
CID 30272266
N-(4-ethoxyphenyl)-2,4,5-trimethoxybenzamide
CID 912703
2,4,5-trimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 4793592
N-(3,5-dimethoxyphenyl)-2-methylbenzamide
CID 9096893
N-(3,5-dimethoxyphenyl)acetamide
CID 702039
N-(3,5-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide
CID 7960826
N-(3,5-dimethoxyphenyl)-2,5-difluorobenzamide
CID 17400602
N-[4-(1-aminoethyl)phenyl]-2,4,5-trimethoxybenzamide
CID 119625597
N-(3-benzamidophenyl)-2,4,5-trimethoxybenzamide
CID 55797225
N-(4-ethoxy-3-methoxyphenyl)-2,4,5-trimethoxybenzamide
CID 9103295
2,4,5-trimethoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 131950606
2,4,5-trimethoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 131949452

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2,4,5-trimethoxybenzamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2,4,5-trimethoxybenzamide (CID 2200296) is N-(3,5-dimethoxyphenyl)-2,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2,4,5-trimethoxybenzamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2,4,5-trimethoxybenzamide is COc1cc(NC(=O)c2cc(OC)c(OC)cc2OC)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2,4,5-trimethoxybenzamide?
The InChIKey is HOPZSGWWGFZCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO6/c1-21-12-6-11(7-13(8-12)22-2)19-18(20)14-9-16(24-4)17(25-5)10-15(14)23-3/h6-10H,1-5H3,(H,19,20).
What are the key properties of N-(3,5-dimethoxyphenyl)-2,4,5-trimethoxybenzamide?
N-(3,5-dimethoxyphenyl)-2,4,5-trimethoxybenzamide has a molecular weight of 347.37 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2,4,5-trimethoxybenzamide is sourced from PubChem (CID 2200296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).