4-ethyl-N-(4-methoxy-5,6-dimethyl-1,3,5-triazin-5-ium-2-yl)benzamide

C15H19N4O2+ — CID 59600688

IUPAC4-ethyl-N-(4-methoxy-5,6-dimethyl-1,3,5-triazin-5-ium-2-yl)benzamide
SMILESCCc1ccc(C(=O)Nc2nc(C)[n+](C)c(OC)n2)cc1
InChIInChI=1S/C15H18N4O2/c1-5-11-6-8-12(9-7-11)13(20)17-14-16-10(2)19(3)15(18-14)21-4/h6-9H,5H2,1-4H3/p+1
InChIKeyQVCYDNBCNKXJSO-UHFFFAOYSA-O
MW287.34 g/mol
LogP1.43
Rot. Bonds4

About 4-ethyl-N-(4-methoxy-5,6-dimethyl-1,3,5-triazin-5-ium-2-yl)benzamide

4-ethyl-N-(4-methoxy-5,6-dimethyl-1,3,5-triazin-5-ium-2-yl)benzamide (PubChem CID 59600688) has the molecular formula C15H19N4O2+ and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-ethyl-N-(4-methoxy-5,6-dimethyl-1,3,5-triazin-5-ium-2-yl)benzamide.

Molecular Properties

Compound Name4-ethyl-N-(4-methoxy-5,6-dimethyl-1,3,5-triazin-5-ium-2-yl)benzamide
PubChem CID59600688
Molecular FormulaC15H19N4O2+
Molecular Weight287.34 g/mol
Exact Mass287.15
IUPAC Name4-ethyl-N-(4-methoxy-5,6-dimethyl-1,3,5-triazin-5-ium-2-yl)benzamide
SMILESCCc1ccc(C(=O)Nc2nc(C)[n+](C)c(OC)n2)cc1
InChIInChI=1S/C15H18N4O2/c1-5-11-6-8-12(9-7-11)13(20)17-14-16-10(2)19(3)15(18-14)21-4/h6-9H,5H2,1-4H3/p+1
InChIKeyQVCYDNBCNKXJSO-UHFFFAOYSA-O
XLogP1.43
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(4-methoxy-5,6-dimethyl-1,3,5-triazin-5-ium-2-yl)benzamide?
The IUPAC name of 4-ethyl-N-(4-methoxy-5,6-dimethyl-1,3,5-triazin-5-ium-2-yl)benzamide (CID 59600688) is 4-ethyl-N-(4-methoxy-5,6-dimethyl-1,3,5-triazin-5-ium-2-yl)benzamide.
What is the SMILES notation for 4-ethyl-N-(4-methoxy-5,6-dimethyl-1,3,5-triazin-5-ium-2-yl)benzamide?
The canonical SMILES for 4-ethyl-N-(4-methoxy-5,6-dimethyl-1,3,5-triazin-5-ium-2-yl)benzamide is CCc1ccc(C(=O)Nc2nc(C)[n+](C)c(OC)n2)cc1.
What is the InChIKey of 4-ethyl-N-(4-methoxy-5,6-dimethyl-1,3,5-triazin-5-ium-2-yl)benzamide?
The InChIKey is QVCYDNBCNKXJSO-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H18N4O2/c1-5-11-6-8-12(9-7-11)13(20)17-14-16-10(2)19(3)15(18-14)21-4/h6-9H,5H2,1-4H3/p+1.
What are the key properties of 4-ethyl-N-(4-methoxy-5,6-dimethyl-1,3,5-triazin-5-ium-2-yl)benzamide?
4-ethyl-N-(4-methoxy-5,6-dimethyl-1,3,5-triazin-5-ium-2-yl)benzamide has a molecular weight of 287.34 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(4-methoxy-5,6-dimethyl-1,3,5-triazin-5-ium-2-yl)benzamide is sourced from PubChem (CID 59600688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).