3-methoxy-N-methyl-4-propylbenzamide

C12H17NO2 — CID 155440057

IUPAC3-methoxy-N-methyl-4-propylbenzamide
SMILESCCCc1ccc(C(=O)NC)cc1OC
InChIInChI=1S/C12H17NO2/c1-4-5-9-6-7-10(12(14)13-2)8-11(9)15-3/h6-8H,4-5H2,1-3H3,(H,13,14)
InChIKeyVMGNHLHIOLYVRB-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.01
Rot. Bonds4

About 3-methoxy-N-methyl-4-propylbenzamide

3-methoxy-N-methyl-4-propylbenzamide (PubChem CID 155440057) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-methoxy-N-methyl-4-propylbenzamide.

Molecular Properties

Compound Name3-methoxy-N-methyl-4-propylbenzamide
PubChem CID155440057
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-methoxy-N-methyl-4-propylbenzamide
SMILESCCCc1ccc(C(=O)NC)cc1OC
InChIInChI=1S/C12H17NO2/c1-4-5-9-6-7-10(12(14)13-2)8-11(9)15-3/h6-8H,4-5H2,1-3H3,(H,13,14)
InChIKeyVMGNHLHIOLYVRB-UHFFFAOYSA-N
XLogP2.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(butylamino)-3-methoxy-N-methylbenzamide
CID 178010173
4-ethyl-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 129196340
[2-methoxy-4-(methylcarbamoyl)phenyl] thiohypoiodite
CID 122522384
3-ethoxy-N,4-dimethylbenzamide
CID 59678322
methyl 4-(2-aminoethyl)-3-methoxybenzoate;hydrochloride
CID 67396298
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454
4-(but-2-ynylamino)-3-methoxy-N-methylbenzamide
CID 165372858
CID 167532226
CID 167532226
4-amino-3-ethoxy-N-methylbenzamide
CID 63357452
3-methoxy-N-methyl-4-[2-[4-(2-methylimidazol-1-yl)butanoylamino]ethyl]benzamide
CID 166428137
4-amino-3-butoxy-N-methylbenzamide
CID 63357456
4-(ethylamino)-3-(2-hydroxyethoxy)-N-methylbenzamide
CID 135296117

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-4-propylbenzamide?
The IUPAC name of 3-methoxy-N-methyl-4-propylbenzamide (CID 155440057) is 3-methoxy-N-methyl-4-propylbenzamide.
What is the SMILES notation for 3-methoxy-N-methyl-4-propylbenzamide?
The canonical SMILES for 3-methoxy-N-methyl-4-propylbenzamide is CCCc1ccc(C(=O)NC)cc1OC.
What is the InChIKey of 3-methoxy-N-methyl-4-propylbenzamide?
The InChIKey is VMGNHLHIOLYVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-5-9-6-7-10(12(14)13-2)8-11(9)15-3/h6-8H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 3-methoxy-N-methyl-4-propylbenzamide?
3-methoxy-N-methyl-4-propylbenzamide has a molecular weight of 207.27 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-4-propylbenzamide is sourced from PubChem (CID 155440057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).