2,4-dimethoxy-3-methyl-N-[(3-methylphenyl)methyl]benzamide

C18H21NO3 — CID 110763343

IUPAC2,4-dimethoxy-3-methyl-N-[(3-methylphenyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cccc(C)c2)c(OC)c1C
InChIInChI=1S/C18H21NO3/c1-12-6-5-7-14(10-12)11-19-18(20)15-8-9-16(21-3)13(2)17(15)22-4/h5-10H,11H2,1-4H3,(H,19,20)
InChIKeyHDGRCXGUQNBVGW-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.25
Rot. Bonds5

About 2,4-dimethoxy-3-methyl-N-[(3-methylphenyl)methyl]benzamide

2,4-dimethoxy-3-methyl-N-[(3-methylphenyl)methyl]benzamide (PubChem CID 110763343) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2,4-dimethoxy-3-methyl-N-[(3-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-3-methyl-N-[(3-methylphenyl)methyl]benzamide
PubChem CID110763343
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2,4-dimethoxy-3-methyl-N-[(3-methylphenyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cccc(C)c2)c(OC)c1C
InChIInChI=1S/C18H21NO3/c1-12-6-5-7-14(10-12)11-19-18(20)15-8-9-16(21-3)13(2)17(15)22-4/h5-10H,11H2,1-4H3,(H,19,20)
InChIKeyHDGRCXGUQNBVGW-UHFFFAOYSA-N
XLogP3.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethoxy-3-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 110763344
5-amino-2-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 61103300
7-methoxy-1-methyl-N-[(3-methylphenyl)methyl]indole-3-carboxamide
CID 143502442
2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide
CID 114343999
3-fluoro-4-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 38293920
2-hydroxy-5-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 60728918
2-chloro-4-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 99835975
2,4-dimethoxy-3-methyl-N-(2-methylpropyl)benzamide
CID 110763321
2,3,4-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 9483233
N-[(3,4-dimethoxyphenyl)methyl]-2-[(3-methylphenyl)methylamino]acetamide
CID 108996749
2,3-dimethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide
CID 100531207
N-(3-hydroxypropyl)-2,4-dimethoxy-3-methylbenzamide
CID 98016459

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-3-methyl-N-[(3-methylphenyl)methyl]benzamide?
The IUPAC name of 2,4-dimethoxy-3-methyl-N-[(3-methylphenyl)methyl]benzamide (CID 110763343) is 2,4-dimethoxy-3-methyl-N-[(3-methylphenyl)methyl]benzamide.
What is the SMILES notation for 2,4-dimethoxy-3-methyl-N-[(3-methylphenyl)methyl]benzamide?
The canonical SMILES for 2,4-dimethoxy-3-methyl-N-[(3-methylphenyl)methyl]benzamide is COc1ccc(C(=O)NCc2cccc(C)c2)c(OC)c1C.
What is the InChIKey of 2,4-dimethoxy-3-methyl-N-[(3-methylphenyl)methyl]benzamide?
The InChIKey is HDGRCXGUQNBVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-12-6-5-7-14(10-12)11-19-18(20)15-8-9-16(21-3)13(2)17(15)22-4/h5-10H,11H2,1-4H3,(H,19,20).
What are the key properties of 2,4-dimethoxy-3-methyl-N-[(3-methylphenyl)methyl]benzamide?
2,4-dimethoxy-3-methyl-N-[(3-methylphenyl)methyl]benzamide has a molecular weight of 299.37 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-3-methyl-N-[(3-methylphenyl)methyl]benzamide is sourced from PubChem (CID 110763343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).