3,4,5-trimethoxy-N-(2-methylphenyl)benzamide

C17H19NO4 — CID 12924

IUPAC3,4,5-trimethoxy-N-(2-methylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2C)cc(OC)c1OC
InChIInChI=1S/C17H19NO4/c1-11-7-5-6-8-13(11)18-17(19)12-9-14(20-2)16(22-4)15(10-12)21-3/h5-10H,1-4H3,(H,18,19)
InChIKeyBGNIILXYCHNOSN-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.27
Rot. Bonds5

About 3,4,5-trimethoxy-N-(2-methylphenyl)benzamide

3,4,5-trimethoxy-N-(2-methylphenyl)benzamide (PubChem CID 12924) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(2-methylphenyl)benzamide
PubChem CID12924
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name3,4,5-trimethoxy-N-(2-methylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2C)cc(OC)c1OC
InChIInChI=1S/C17H19NO4/c1-11-7-5-6-8-13(11)18-17(19)12-9-14(20-2)16(22-4)15(10-12)21-3/h5-10H,1-4H3,(H,18,19)
InChIKeyBGNIILXYCHNOSN-UHFFFAOYSA-N
XLogP3.27
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(2-methylphenyl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(2-methylphenyl)benzamide (CID 12924) is 3,4,5-trimethoxy-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(2-methylphenyl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(2-methylphenyl)benzamide is COc1cc(C(=O)Nc2ccccc2C)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(2-methylphenyl)benzamide?
The InChIKey is BGNIILXYCHNOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-11-7-5-6-8-13(11)18-17(19)12-9-14(20-2)16(22-4)15(10-12)21-3/h5-10H,1-4H3,(H,18,19).
What are the key properties of 3,4,5-trimethoxy-N-(2-methylphenyl)benzamide?
3,4,5-trimethoxy-N-(2-methylphenyl)benzamide has a molecular weight of 301.34 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 12924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).