3,4-dimethoxy-N-(2,4,6-trimethylphenyl)benzamide

C18H21NO3 — CID 2304675

IUPAC3,4-dimethoxy-N-(2,4,6-trimethylphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1OC
InChIInChI=1S/C18H21NO3/c1-11-8-12(2)17(13(3)9-11)19-18(20)14-6-7-15(21-4)16(10-14)22-5/h6-10H,1-5H3,(H,19,20)
InChIKeyZHAOAOADOMXAJV-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.88
Rot. Bonds4

About 3,4-dimethoxy-N-(2,4,6-trimethylphenyl)benzamide

3,4-dimethoxy-N-(2,4,6-trimethylphenyl)benzamide (PubChem CID 2304675) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(2,4,6-trimethylphenyl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(2,4,6-trimethylphenyl)benzamide
PubChem CID2304675
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name3,4-dimethoxy-N-(2,4,6-trimethylphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1OC
InChIInChI=1S/C18H21NO3/c1-11-8-12(2)17(13(3)9-11)19-18(20)14-6-7-15(21-4)16(10-14)22-5/h6-10H,1-5H3,(H,19,20)
InChIKeyZHAOAOADOMXAJV-UHFFFAOYSA-N
XLogP3.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(2,4,6-trimethylphenyl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(2,4,6-trimethylphenyl)benzamide (CID 2304675) is 3,4-dimethoxy-N-(2,4,6-trimethylphenyl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(2,4,6-trimethylphenyl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(2,4,6-trimethylphenyl)benzamide is COc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(2,4,6-trimethylphenyl)benzamide?
The InChIKey is ZHAOAOADOMXAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-11-8-12(2)17(13(3)9-11)19-18(20)14-6-7-15(21-4)16(10-14)22-5/h6-10H,1-5H3,(H,19,20).
What are the key properties of 3,4-dimethoxy-N-(2,4,6-trimethylphenyl)benzamide?
3,4-dimethoxy-N-(2,4,6-trimethylphenyl)benzamide has a molecular weight of 299.37 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(2,4,6-trimethylphenyl)benzamide is sourced from PubChem (CID 2304675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).