3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-[(2-methylphenyl)methyl]-N-prop-2-enylpropanamide

C19H26N4O — CID 46983695

IUPAC3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-[(2-methylphenyl)methyl]-N-prop-2-enylpropanamide
SMILESC=CCN(Cc1ccccc1C)C(=O)C(C)Cn1nc(C)nc1C
InChIInChI=1S/C19H26N4O/c1-6-11-22(13-18-10-8-7-9-14(18)2)19(24)15(3)12-23-17(5)20-16(4)21-23/h6-10,15H,1,11-13H2,2-5H3
InChIKeyMHPMJQBBBBZZBO-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.05
Rot. Bonds7

About 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-[(2-methylphenyl)methyl]-N-prop-2-enylpropanamide

3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-[(2-methylphenyl)methyl]-N-prop-2-enylpropanamide (PubChem CID 46983695) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-[(2-methylphenyl)methyl]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-[(2-methylphenyl)methyl]-N-prop-2-enylpropanamide
PubChem CID46983695
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-[(2-methylphenyl)methyl]-N-prop-2-enylpropanamide
SMILESC=CCN(Cc1ccccc1C)C(=O)C(C)Cn1nc(C)nc1C
InChIInChI=1S/C19H26N4O/c1-6-11-22(13-18-10-8-7-9-14(18)2)19(24)15(3)12-23-17(5)20-16(4)21-23/h6-10,15H,1,11-13H2,2-5H3
InChIKeyMHPMJQBBBBZZBO-UHFFFAOYSA-N
XLogP3.05
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-[(2-methylphenyl)methyl]-N-prop-2-enylpropanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-[(2-methylphenyl)methyl]-N-prop-2-enylpropanamide (CID 46983695) is 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-[(2-methylphenyl)methyl]-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-[(2-methylphenyl)methyl]-N-prop-2-enylpropanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-[(2-methylphenyl)methyl]-N-prop-2-enylpropanamide is C=CCN(Cc1ccccc1C)C(=O)C(C)Cn1nc(C)nc1C.
What is the InChIKey of 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-[(2-methylphenyl)methyl]-N-prop-2-enylpropanamide?
The InChIKey is MHPMJQBBBBZZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-6-11-22(13-18-10-8-7-9-14(18)2)19(24)15(3)12-23-17(5)20-16(4)21-23/h6-10,15H,1,11-13H2,2-5H3.
What are the key properties of 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-[(2-methylphenyl)methyl]-N-prop-2-enylpropanamide?
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-[(2-methylphenyl)methyl]-N-prop-2-enylpropanamide has a molecular weight of 326.44 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-[(2-methylphenyl)methyl]-N-prop-2-enylpropanamide is sourced from PubChem (CID 46983695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).