2,4-dimethoxy-N-methyl-N-(naphthalen-2-ylmethyl)benzamide

C21H21NO3 — CID 18115021

IUPAC2,4-dimethoxy-N-methyl-N-(naphthalen-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(C)Cc2ccc3ccccc3c2)c(OC)c1
InChIInChI=1S/C21H21NO3/c1-22(14-15-8-9-16-6-4-5-7-17(16)12-15)21(23)19-11-10-18(24-2)13-20(19)25-3/h4-13H,14H2,1-3H3
InChIKeyCNWRKBMYXICADJ-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.13
Rot. Bonds5

About 2,4-dimethoxy-N-methyl-N-(naphthalen-2-ylmethyl)benzamide

2,4-dimethoxy-N-methyl-N-(naphthalen-2-ylmethyl)benzamide (PubChem CID 18115021) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 2,4-dimethoxy-N-methyl-N-(naphthalen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-methyl-N-(naphthalen-2-ylmethyl)benzamide
PubChem CID18115021
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name2,4-dimethoxy-N-methyl-N-(naphthalen-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(C)Cc2ccc3ccccc3c2)c(OC)c1
InChIInChI=1S/C21H21NO3/c1-22(14-15-8-9-16-6-4-5-7-17(16)12-15)21(23)19-11-10-18(24-2)13-20(19)25-3/h4-13H,14H2,1-3H3
InChIKeyCNWRKBMYXICADJ-UHFFFAOYSA-N
XLogP4.13
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 18116979
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide
CID 18111734
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-oxochromene-3-carboxamide
CID 9482674
2-methoxy-N-methyl-N-(naphthalen-2-ylmethyl)-5-sulfamoylbenzamide
CID 18115072
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylquinoline-2-carboxamide
CID 9482645
3-ethoxy-4-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 43012781
(E)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-(2-methoxyphenyl)-N-methylprop-2-enamide
CID 9482673
2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 60631214
2-hydroxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 115140024
N-[(3-chlorophenyl)methyl]-2,5-dimethoxy-N-methylbenzamide
CID 18112540
2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-4-nitrobenzamide
CID 8857208
N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethyl-2-nitrobenzamide
CID 18116967

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-methyl-N-(naphthalen-2-ylmethyl)benzamide?
The IUPAC name of 2,4-dimethoxy-N-methyl-N-(naphthalen-2-ylmethyl)benzamide (CID 18115021) is 2,4-dimethoxy-N-methyl-N-(naphthalen-2-ylmethyl)benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-methyl-N-(naphthalen-2-ylmethyl)benzamide?
The canonical SMILES for 2,4-dimethoxy-N-methyl-N-(naphthalen-2-ylmethyl)benzamide is COc1ccc(C(=O)N(C)Cc2ccc3ccccc3c2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-methyl-N-(naphthalen-2-ylmethyl)benzamide?
The InChIKey is CNWRKBMYXICADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-22(14-15-8-9-16-6-4-5-7-17(16)12-15)21(23)19-11-10-18(24-2)13-20(19)25-3/h4-13H,14H2,1-3H3.
What are the key properties of 2,4-dimethoxy-N-methyl-N-(naphthalen-2-ylmethyl)benzamide?
2,4-dimethoxy-N-methyl-N-(naphthalen-2-ylmethyl)benzamide has a molecular weight of 335.40 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-methyl-N-(naphthalen-2-ylmethyl)benzamide is sourced from PubChem (CID 18115021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).