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

C17H19NO3 — CID 835462

IUPAC3,5-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCc2ccc(C)cc2)c1
InChIInChI=1S/C17H19NO3/c1-12-4-6-13(7-5-12)11-18-17(19)14-8-15(20-2)10-16(9-14)21-3/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyVMVGGHCHTBPQCY-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.94
Rot. Bonds5

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

3,5-dimethoxy-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 835462) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
PubChem CID835462
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name3,5-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCc2ccc(C)cc2)c1
InChIInChI=1S/C17H19NO3/c1-12-4-6-13(7-5-12)11-18-17(19)14-8-15(20-2)10-16(9-14)21-3/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyVMVGGHCHTBPQCY-UHFFFAOYSA-N
XLogP2.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[(3,5-dimethoxybenzoyl)amino]methyl]benzoate
CID 18106671
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CID 47043818
3,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
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3,5-dihydroxy-N-[(4-methylphenyl)methyl]benzamide
CID 103891536
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CID 23988040
3,5-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
CID 110666082
2-hydroxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 11086863
2-[(4-methoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
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2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
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3-bromo-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 27259778
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CID 92683249

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[(4-methylphenyl)methyl]benzamide (CID 835462) is 3,5-dimethoxy-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[(4-methylphenyl)methyl]benzamide is COc1cc(OC)cc(C(=O)NCc2ccc(C)cc2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is VMVGGHCHTBPQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12-4-6-13(7-5-12)11-18-17(19)14-8-15(20-2)10-16(9-14)21-3/h4-10H,11H2,1-3H3,(H,18,19).
What are the key properties of 3,5-dimethoxy-N-[(4-methylphenyl)methyl]benzamide?
3,5-dimethoxy-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 285.34 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 835462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).