3-methoxy-N-methylbenzamide

C9H11NO2 — CID 820515

IUPAC3-methoxy-N-methylbenzamide
SMILESCNC(=O)c1cccc(OC)c1
InChIInChI=1S/C9H11NO2/c1-10-9(11)7-4-3-5-8(6-7)12-2/h3-6H,1-2H3,(H,10,11)
InChIKeyQCUZSRZQGYWQHC-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.05
Rot. Bonds2

About 3-methoxy-N-methylbenzamide

3-methoxy-N-methylbenzamide (PubChem CID 820515) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 3-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-methoxy-N-methylbenzamide
PubChem CID820515
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name3-methoxy-N-methylbenzamide
SMILESCNC(=O)c1cccc(OC)c1
InChIInChI=1S/C9H11NO2/c1-10-9(11)7-4-3-5-8(6-7)12-2/h3-6H,1-2H3,(H,10,11)
InChIKeyQCUZSRZQGYWQHC-UHFFFAOYSA-N
XLogP1.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methylbenzamide?
The IUPAC name of 3-methoxy-N-methylbenzamide (CID 820515) is 3-methoxy-N-methylbenzamide.
What is the SMILES notation for 3-methoxy-N-methylbenzamide?
The canonical SMILES for 3-methoxy-N-methylbenzamide is CNC(=O)c1cccc(OC)c1.
What is the InChIKey of 3-methoxy-N-methylbenzamide?
The InChIKey is QCUZSRZQGYWQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-10-9(11)7-4-3-5-8(6-7)12-2/h3-6H,1-2H3,(H,10,11).
What are the key properties of 3-methoxy-N-methylbenzamide?
3-methoxy-N-methylbenzamide has a molecular weight of 165.19 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methylbenzamide is sourced from PubChem (CID 820515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).