N-[(2,5-dimethoxyphenyl)methyl]-3-methylbenzamide

C17H19NO3 — CID 33097699

IUPACN-[(2,5-dimethoxyphenyl)methyl]-3-methylbenzamide
SMILESCOc1ccc(OC)c(CNC(=O)c2cccc(C)c2)c1
InChIInChI=1S/C17H19NO3/c1-12-5-4-6-13(9-12)17(19)18-11-14-10-15(20-2)7-8-16(14)21-3/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyFCENSBOHKVTWEJ-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.94
Rot. Bonds5

About N-[(2,5-dimethoxyphenyl)methyl]-3-methylbenzamide

N-[(2,5-dimethoxyphenyl)methyl]-3-methylbenzamide (PubChem CID 33097699) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-3-methylbenzamide
PubChem CID33097699
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-3-methylbenzamide
SMILESCOc1ccc(OC)c(CNC(=O)c2cccc(C)c2)c1
InChIInChI=1S/C17H19NO3/c1-12-5-4-6-13(9-12)17(19)18-11-14-10-15(20-2)7-8-16(14)21-3/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyFCENSBOHKVTWEJ-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

1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
N-[(2,5-dimethoxyphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 33107845
N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbenzamide
CID 3503389
N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methoxybenzamide
CID 110784129
N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-methylbenzamide
CID 108537853
N-[3-[(2,5-dimethoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 33102267
N-[(2,5-dimethoxyphenyl)methyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 92844931
N-[(2,5-dimethoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide
CID 33104762
N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 25497365
N-(2,4-dimethoxyphenyl)-3-methylbenzamide
CID 710450
3-amino-N-[(2,5-dimethoxyphenyl)methyl]-4-(4-methylphenyl)sulfanylbenzamide
CID 5060578
N-[(2,5-dimethoxyphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53011552

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-3-methylbenzamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-3-methylbenzamide (CID 33097699) is N-[(2,5-dimethoxyphenyl)methyl]-3-methylbenzamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-3-methylbenzamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-3-methylbenzamide is COc1ccc(OC)c(CNC(=O)c2cccc(C)c2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-3-methylbenzamide?
The InChIKey is FCENSBOHKVTWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12-5-4-6-13(9-12)17(19)18-11-14-10-15(20-2)7-8-16(14)21-3/h4-10H,11H2,1-3H3,(H,18,19).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-3-methylbenzamide?
N-[(2,5-dimethoxyphenyl)methyl]-3-methylbenzamide 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 N-[(2,5-dimethoxyphenyl)methyl]-3-methylbenzamide is sourced from PubChem (CID 33097699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).