N-methoxy-N,4-dimethylbenzamide

C10H13NO2 — CID 5133773

IUPACN-methoxy-N,4-dimethylbenzamide
SMILESCON(C)C(=O)c1ccc(C)cc1
InChIInChI=1S/C10H13NO2/c1-8-4-6-9(7-5-8)10(12)11(2)13-3/h4-7H,1-3H3
InChIKeyJFLVXYRFUSRSCR-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.63
Rot. Bonds2

About N-methoxy-N,4-dimethylbenzamide

N-methoxy-N,4-dimethylbenzamide (PubChem CID 5133773) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is N-methoxy-N,4-dimethylbenzamide.

Molecular Properties

Compound NameN-methoxy-N,4-dimethylbenzamide
PubChem CID5133773
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC NameN-methoxy-N,4-dimethylbenzamide
SMILESCON(C)C(=O)c1ccc(C)cc1
InChIInChI=1S/C10H13NO2/c1-8-4-6-9(7-5-8)10(12)11(2)13-3/h4-7H,1-3H3
InChIKeyJFLVXYRFUSRSCR-UHFFFAOYSA-N
XLogP1.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N,4-dimethylbenzamide?
The IUPAC name of N-methoxy-N,4-dimethylbenzamide (CID 5133773) is N-methoxy-N,4-dimethylbenzamide.
What is the SMILES notation for N-methoxy-N,4-dimethylbenzamide?
The canonical SMILES for N-methoxy-N,4-dimethylbenzamide is CON(C)C(=O)c1ccc(C)cc1.
What is the InChIKey of N-methoxy-N,4-dimethylbenzamide?
The InChIKey is JFLVXYRFUSRSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-8-4-6-9(7-5-8)10(12)11(2)13-3/h4-7H,1-3H3.
What are the key properties of N-methoxy-N,4-dimethylbenzamide?
N-methoxy-N,4-dimethylbenzamide has a molecular weight of 179.22 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N,4-dimethylbenzamide is sourced from PubChem (CID 5133773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).