3-(methoxymethyl)-N-propylbenzamide

C12H17NO2 — CID 60667721

IUPAC3-(methoxymethyl)-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(COC)c1
InChIInChI=1S/C12H17NO2/c1-3-7-13-12(14)11-6-4-5-10(8-11)9-15-2/h4-6,8H,3,7,9H2,1-2H3,(H,13,14)
InChIKeyLBQZZIHDSBEFFW-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.97
Rot. Bonds5

About 3-(methoxymethyl)-N-propylbenzamide

3-(methoxymethyl)-N-propylbenzamide (PubChem CID 60667721) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-propylbenzamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-propylbenzamide
PubChem CID60667721
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-(methoxymethyl)-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(COC)c1
InChIInChI=1S/C12H17NO2/c1-3-7-13-12(14)11-6-4-5-10(8-11)9-15-2/h4-6,8H,3,7,9H2,1-2H3,(H,13,14)
InChIKeyLBQZZIHDSBEFFW-UHFFFAOYSA-N
XLogP1.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-difluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]benzamide
CID 56788999
3-fluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]-4-methylbenzamide
CID 33327149
3-(methoxymethyl)-N-prop-2-ynylbenzamide
CID 51219689
3-(2-phenylethyl)-N-propylbenzamide
CID 67214540
3-(methoxymethyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31115342
3-(methoxymethyl)-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393677
N-[2-(dimethylamino)-2-oxoethyl]-3-(methoxymethyl)benzamide
CID 9481032
N-[[4-(ethoxymethyl)phenyl]methyl]-3-(methoxymethyl)benzamide
CID 37358180
3-(cyanomethyl)-N-propylbenzamide
CID 82178980
N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)benzamide
CID 7603190
3-[(diaminomethylideneamino)methyl]-N-propylbenzamide;hydroiodide
CID 110916099
methyl 2-hydroxy-3-[[3-(methoxymethyl)benzoyl]amino]propanoate
CID 103879076

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-propylbenzamide?
The IUPAC name of 3-(methoxymethyl)-N-propylbenzamide (CID 60667721) is 3-(methoxymethyl)-N-propylbenzamide.
What is the SMILES notation for 3-(methoxymethyl)-N-propylbenzamide?
The canonical SMILES for 3-(methoxymethyl)-N-propylbenzamide is CCCNC(=O)c1cccc(COC)c1.
What is the InChIKey of 3-(methoxymethyl)-N-propylbenzamide?
The InChIKey is LBQZZIHDSBEFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-7-13-12(14)11-6-4-5-10(8-11)9-15-2/h4-6,8H,3,7,9H2,1-2H3,(H,13,14).
What are the key properties of 3-(methoxymethyl)-N-propylbenzamide?
3-(methoxymethyl)-N-propylbenzamide has a molecular weight of 207.27 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-propylbenzamide is sourced from PubChem (CID 60667721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).