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

C18H21NO4 — CID 90854315

IUPACN-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(CN(C)C(=O)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C18H21NO4/c1-19(18(20)14-8-6-5-7-9-14)12-13-10-15(21-2)17(23-4)16(11-13)22-3/h5-11H,12H2,1-4H3
InChIKeyKZYVMSVKFNJMEQ-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.98
Rot. Bonds6

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

N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide (PubChem CID 90854315) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
PubChem CID90854315
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC NameN-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(CN(C)C(=O)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C18H21NO4/c1-19(18(20)14-8-6-5-7-9-14)12-13-10-15(21-2)17(23-4)16(11-13)22-3/h5-11H,12H2,1-4H3
InChIKeyKZYVMSVKFNJMEQ-UHFFFAOYSA-N
XLogP2.98
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-benzyl-3,4,5-trimethoxy-N-methylbenzamide
CID 669607
3-methoxy-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095830
2-chloro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095840
2-bromo-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095826
N-methyl-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 51070569
N-methyl-1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 100788749
N-[(2-fluorophenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 4780408
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-phenoxybenzamide
CID 17442743
1,3-dimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 115169295
4-amino-N-benzyl-3-methoxy-N-methylbenzamide
CID 104782312
N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 113095969
N-benzyl-2,6-dimethoxy-N-methylbenzamide
CID 3333869

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The IUPAC name of N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide (CID 90854315) is N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide.
What is the SMILES notation for N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The canonical SMILES for N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide is COc1cc(CN(C)C(=O)c2ccccc2)cc(OC)c1OC.
What is the InChIKey of N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The InChIKey is KZYVMSVKFNJMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-19(18(20)14-8-6-5-7-9-14)12-13-10-15(21-2)17(23-4)16(11-13)22-3/h5-11H,12H2,1-4H3.
What are the key properties of N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide has a molecular weight of 315.37 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 90854315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).