3-[(2-methoxyphenoxy)methyl]-N-propylbenzamide

C18H21NO3 — CID 2165907

IUPAC3-[(2-methoxyphenoxy)methyl]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(COc2ccccc2OC)c1
InChIInChI=1S/C18H21NO3/c1-3-11-19-18(20)15-8-6-7-14(12-15)13-22-17-10-5-4-9-16(17)21-2/h4-10,12H,3,11,13H2,1-2H3,(H,19,20)
InChIKeyCSHPROCSABULLN-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.41
Rot. Bonds7

About 3-[(2-methoxyphenoxy)methyl]-N-propylbenzamide

3-[(2-methoxyphenoxy)methyl]-N-propylbenzamide (PubChem CID 2165907) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-[(2-methoxyphenoxy)methyl]-N-propylbenzamide.

Molecular Properties

Compound Name3-[(2-methoxyphenoxy)methyl]-N-propylbenzamide
PubChem CID2165907
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name3-[(2-methoxyphenoxy)methyl]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(COc2ccccc2OC)c1
InChIInChI=1S/C18H21NO3/c1-3-11-19-18(20)15-8-6-7-14(12-15)13-22-17-10-5-4-9-16(17)21-2/h4-10,12H,3,11,13H2,1-2H3,(H,19,20)
InChIKeyCSHPROCSABULLN-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Itopride
CID 3792
Itopride Hydrochloride
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4-tert-butyl-N-[2-(2-methoxyphenoxy)ethyl]benzamide
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CID 720058
N-(3,3-Dimethyl-butyl)-4-hexyloxy-benzamide
CID 10979664
N-(3-(trifluoromethyl)benzyl)-4-phenoxybenzamide
CID 11703439
2-{[3-(Piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218485
2-{[4-Fluoro-3-(piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218486
5-Fluoro-2-{[4-fluoro-3-(piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenoxy)methyl]-N-propylbenzamide?
The IUPAC name of 3-[(2-methoxyphenoxy)methyl]-N-propylbenzamide (CID 2165907) is 3-[(2-methoxyphenoxy)methyl]-N-propylbenzamide.
What is the SMILES notation for 3-[(2-methoxyphenoxy)methyl]-N-propylbenzamide?
The canonical SMILES for 3-[(2-methoxyphenoxy)methyl]-N-propylbenzamide is CCCNC(=O)c1cccc(COc2ccccc2OC)c1.
What is the InChIKey of 3-[(2-methoxyphenoxy)methyl]-N-propylbenzamide?
The InChIKey is CSHPROCSABULLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-3-11-19-18(20)15-8-6-7-14(12-15)13-22-17-10-5-4-9-16(17)21-2/h4-10,12H,3,11,13H2,1-2H3,(H,19,20).
What are the key properties of 3-[(2-methoxyphenoxy)methyl]-N-propylbenzamide?
3-[(2-methoxyphenoxy)methyl]-N-propylbenzamide has a molecular weight of 299.37 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenoxy)methyl]-N-propylbenzamide is sourced from PubChem (CID 2165907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).