N-benzyl-3,4-dimethoxybenzamide

C16H17NO3 — CID 669342

IUPACN-benzyl-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccccc2)cc1OC
InChIInChI=1S/C16H17NO3/c1-19-14-9-8-13(10-15(14)20-2)16(18)17-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyMKWVXVLEKSXJMR-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.63
Rot. Bonds5

About N-benzyl-3,4-dimethoxybenzamide

N-benzyl-3,4-dimethoxybenzamide (PubChem CID 669342) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-benzyl-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-benzyl-3,4-dimethoxybenzamide
PubChem CID669342
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC NameN-benzyl-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccccc2)cc1OC
InChIInChI=1S/C16H17NO3/c1-19-14-9-8-13(10-15(14)20-2)16(18)17-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyMKWVXVLEKSXJMR-UHFFFAOYSA-N
XLogP2.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-3,4-dimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,4-dimethoxybenzamide?
The IUPAC name of N-benzyl-3,4-dimethoxybenzamide (CID 669342) is N-benzyl-3,4-dimethoxybenzamide.
What is the SMILES notation for N-benzyl-3,4-dimethoxybenzamide?
The canonical SMILES for N-benzyl-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCc2ccccc2)cc1OC.
What is the InChIKey of N-benzyl-3,4-dimethoxybenzamide?
The InChIKey is MKWVXVLEKSXJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-19-14-9-8-13(10-15(14)20-2)16(18)17-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,17,18).
What are the key properties of N-benzyl-3,4-dimethoxybenzamide?
N-benzyl-3,4-dimethoxybenzamide has a molecular weight of 271.32 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,4-dimethoxybenzamide is sourced from PubChem (CID 669342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).