2,6-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide

C17H19NO4 — CID 110776411

IUPAC2,6-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2c(OC)cccc2OC)cc1C
InChIInChI=1S/C17H19NO4/c1-11-10-12(8-9-13(11)20-2)18-17(19)16-14(21-3)6-5-7-15(16)22-4/h5-10H,1-4H3,(H,18,19)
InChIKeyRRTCFFUGBMZLBO-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.27
Rot. Bonds5

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

2,6-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide (PubChem CID 110776411) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2,6-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
PubChem CID110776411
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name2,6-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2c(OC)cccc2OC)cc1C
InChIInChI=1S/C17H19NO4/c1-11-10-12(8-9-13(11)20-2)18-17(19)16-14(21-3)6-5-7-15(16)22-4/h5-10H,1-4H3,(H,18,19)
InChIKeyRRTCFFUGBMZLBO-UHFFFAOYSA-N
XLogP3.27
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-6-hydroxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 104917008
N-(3-fluoro-4-methoxyphenyl)-2,6-dimethoxybenzamide
CID 110776470
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
3-(dimethylamino)-N-(4-methoxy-3-methylphenyl)benzamide
CID 87032363
N-(4-methoxy-3-methylphenyl)-4-sulfanylbenzamide
CID 107025570
N-(4-iodophenyl)-2,6-dimethoxybenzamide
CID 1019212
2-hydrazinyl-N-(4-methoxy-3-methylphenyl)benzamide
CID 62236085
N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2,6-dimethoxybenzamide
CID 68567912
2,6-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide
CID 112985879
N-(4-methoxy-3-methylphenyl)-2-(2-methoxyphenyl)acetamide
CID 110776428
5-hydrazinyl-N-(4-methoxy-3-methylphenyl)pyridine-2-carboxamide
CID 104642300
N-(3,5-difluorophenyl)-2,6-dimethoxybenzamide
CID 2989177

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide?
The IUPAC name of 2,6-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide (CID 110776411) is 2,6-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide?
The canonical SMILES for 2,6-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide is COc1ccc(NC(=O)c2c(OC)cccc2OC)cc1C.
What is the InChIKey of 2,6-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide?
The InChIKey is RRTCFFUGBMZLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-11-10-12(8-9-13(11)20-2)18-17(19)16-14(21-3)6-5-7-15(16)22-4/h5-10H,1-4H3,(H,18,19).
What are the key properties of 2,6-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide?
2,6-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide has a molecular weight of 301.34 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide is sourced from PubChem (CID 110776411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).