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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Related Compounds

Trimethobenzamide
CID 5577
Troxipide
CID 5597
Itopride
CID 3792
Trimetozine
CID 12478
Trimethobenzamide Hydrochloride
CID 68385
Itopride Hydrochloride
CID 129791
Opiranserin
CID 71566778
Trocimine
CID 26650
Capobenic Acid
CID 30627
3,4,5-Trimethoxybenzamide
CID 18334
N-(2-phenylethyl)-1,3-benzodioxole-5-carboxamide
CID 669595
Decimemide
CID 26929

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).