N-benzyl-3,4,5-trimethoxybenzamide

C17H19NO4 — CID 736962

IUPACN-benzyl-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C17H19NO4/c1-20-14-9-13(10-15(21-2)16(14)22-3)17(19)18-11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyIUHYGONSJUAHBM-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.64
Rot. Bonds6

About N-benzyl-3,4,5-trimethoxybenzamide

N-benzyl-3,4,5-trimethoxybenzamide (PubChem CID 736962) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is N-benzyl-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-benzyl-3,4,5-trimethoxybenzamide
PubChem CID736962
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC NameN-benzyl-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C17H19NO4/c1-20-14-9-13(10-15(21-2)16(14)22-3)17(19)18-11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyIUHYGONSJUAHBM-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,4,5-trimethoxybenzamide?
The IUPAC name of N-benzyl-3,4,5-trimethoxybenzamide (CID 736962) is N-benzyl-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-benzyl-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-benzyl-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NCc2ccccc2)cc(OC)c1OC.
What is the InChIKey of N-benzyl-3,4,5-trimethoxybenzamide?
The InChIKey is IUHYGONSJUAHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-20-14-9-13(10-15(21-2)16(14)22-3)17(19)18-11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,18,19).
What are the key properties of N-benzyl-3,4,5-trimethoxybenzamide?
N-benzyl-3,4,5-trimethoxybenzamide has a molecular weight of 301.34 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 736962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).