2,3,4-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide

C20H25NO7 — CID 9483233

IUPAC2,3,4-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2ccc(OC)c(OC)c2OC)cc(OC)c1OC
InChIInChI=1S/C20H25NO7/c1-23-14-8-7-13(17(26-4)19(14)28-6)20(22)21-11-12-9-15(24-2)18(27-5)16(10-12)25-3/h7-10H,11H2,1-6H3,(H,21,22)
InChIKeyRLOZWFWDNKEONF-UHFFFAOYSA-N
MW391.42 g/mol
LogP2.67
Rot. Bonds9

About 2,3,4-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide

2,3,4-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide (PubChem CID 9483233) has the molecular formula C20H25NO7 and a molecular weight of 391.42 g/mol. Its IUPAC name is 2,3,4-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2,3,4-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
PubChem CID9483233
Molecular FormulaC20H25NO7
Molecular Weight391.42 g/mol
Exact Mass391.16
IUPAC Name2,3,4-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2ccc(OC)c(OC)c2OC)cc(OC)c1OC
InChIInChI=1S/C20H25NO7/c1-23-14-8-7-13(17(26-4)19(14)28-6)20(22)21-11-12-9-15(24-2)18(27-5)16(10-12)25-3/h7-10H,11H2,1-6H3,(H,21,22)
InChIKeyRLOZWFWDNKEONF-UHFFFAOYSA-N
XLogP2.67
TPSA84.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 2993752
2-(3,4-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483239
2,3,4-trimethoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide
CID 46463295
5-bromo-2-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 27164512
5-bromo-2-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 9483412
2-amino-5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 110181359
N-[(2,4-dichlorophenyl)methyl]-2,3,4-trimethoxybenzamide
CID 55329564
2-(2-phenoxyethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 24549627
2,3-dimethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide
CID 100531207
3,4-diethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261631
2-chloro-5-methylsulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 2995885
N-[(2S)-2-hydroxypropyl]-2,3,4-trimethoxybenzamide
CID 83030336

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The IUPAC name of 2,3,4-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide (CID 9483233) is 2,3,4-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 2,3,4-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The canonical SMILES for 2,3,4-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide is COc1cc(CNC(=O)c2ccc(OC)c(OC)c2OC)cc(OC)c1OC.
What is the InChIKey of 2,3,4-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The InChIKey is RLOZWFWDNKEONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO7/c1-23-14-8-7-13(17(26-4)19(14)28-6)20(22)21-11-12-9-15(24-2)18(27-5)16(10-12)25-3/h7-10H,11H2,1-6H3,(H,21,22).
What are the key properties of 2,3,4-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
2,3,4-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide has a molecular weight of 391.42 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 9483233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).