N-[(2-ethoxyphenyl)methyl]-3-methoxy-4-methylbenzamide

C18H21NO3 — CID 60565957

IUPACN-[(2-ethoxyphenyl)methyl]-3-methoxy-4-methylbenzamide
SMILESCCOc1ccccc1CNC(=O)c1ccc(C)c(OC)c1
InChIInChI=1S/C18H21NO3/c1-4-22-16-8-6-5-7-15(16)12-19-18(20)14-10-9-13(2)17(11-14)21-3/h5-11H,4,12H2,1-3H3,(H,19,20)
InChIKeyLUDYRSMGDLAOMJ-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.33
Rot. Bonds6

About N-[(2-ethoxyphenyl)methyl]-3-methoxy-4-methylbenzamide

N-[(2-ethoxyphenyl)methyl]-3-methoxy-4-methylbenzamide (PubChem CID 60565957) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-3-methoxy-4-methylbenzamide
PubChem CID60565957
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-[(2-ethoxyphenyl)methyl]-3-methoxy-4-methylbenzamide
SMILESCCOc1ccccc1CNC(=O)c1ccc(C)c(OC)c1
InChIInChI=1S/C18H21NO3/c1-4-22-16-8-6-5-7-15(16)12-19-18(20)14-10-9-13(2)17(11-14)21-3/h5-11H,4,12H2,1-3H3,(H,19,20)
InChIKeyLUDYRSMGDLAOMJ-UHFFFAOYSA-N
XLogP3.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide
CID 71822422
N-[(2-ethoxyphenyl)methyl]-4-methyl-3-nitrobenzamide
CID 53279519
4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide
CID 17018061
N-[(2-ethoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 47367776
N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 9246288
3,4-diethoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31115214
6-ethoxy-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 46488664
N-[(2,4-dimethylphenyl)methyl]-3-ethoxy-4-methoxybenzamide
CID 46590873
4-methoxy-N-[(2-methoxyphenyl)methyl]-2,5-dimethylbenzamide
CID 110761590
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-methoxy-4-methylbenzamide
CID 42195214
N-[2-[[N-[(2-ethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]-3-methoxybenzamide;hydroiodide
CID 111880252
3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-ethoxyphenyl)methyl]-4-methylbenzamide
CID 92675351

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-3-methoxy-4-methylbenzamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-3-methoxy-4-methylbenzamide (CID 60565957) is N-[(2-ethoxyphenyl)methyl]-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-3-methoxy-4-methylbenzamide is CCOc1ccccc1CNC(=O)c1ccc(C)c(OC)c1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-3-methoxy-4-methylbenzamide?
The InChIKey is LUDYRSMGDLAOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-4-22-16-8-6-5-7-15(16)12-19-18(20)14-10-9-13(2)17(11-14)21-3/h5-11H,4,12H2,1-3H3,(H,19,20).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-3-methoxy-4-methylbenzamide?
N-[(2-ethoxyphenyl)methyl]-3-methoxy-4-methylbenzamide has a molecular weight of 299.37 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 60565957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).