3-(methoxymethyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide

C18H21NO3 — CID 31115342

IUPAC3-(methoxymethyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
SMILESCOCc1cccc(C(=O)NCCc2ccccc2OC)c1
InChIInChI=1S/C18H21NO3/c1-21-13-14-6-5-8-16(12-14)18(20)19-11-10-15-7-3-4-9-17(15)22-2/h3-9,12H,10-11,13H2,1-2H3,(H,19,20)
InChIKeyWIDUEKZKSMDOMD-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.81
Rot. Bonds7

About 3-(methoxymethyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide

3-(methoxymethyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide (PubChem CID 31115342) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
PubChem CID31115342
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name3-(methoxymethyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
SMILESCOCc1cccc(C(=O)NCCc2ccccc2OC)c1
InChIInChI=1S/C18H21NO3/c1-21-13-14-6-5-8-16(12-14)18(20)19-11-10-15-7-3-4-9-17(15)22-2/h3-9,12H,10-11,13H2,1-2H3,(H,19,20)
InChIKeyWIDUEKZKSMDOMD-UHFFFAOYSA-N
XLogP2.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 3-(methoxymethyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide (CID 31115342) is 3-(methoxymethyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-(methoxymethyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-(methoxymethyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide is COCc1cccc(C(=O)NCCc2ccccc2OC)c1.
What is the InChIKey of 3-(methoxymethyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide?
The InChIKey is WIDUEKZKSMDOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-21-13-14-6-5-8-16(12-14)18(20)19-11-10-15-7-3-4-9-17(15)22-2/h3-9,12H,10-11,13H2,1-2H3,(H,19,20).
What are the key properties of 3-(methoxymethyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide?
3-(methoxymethyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide has a molecular weight of 299.37 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 31115342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).