3-(2,4-dimethylphenyl)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]propanamide

C16H22N4O — CID 71878396

IUPAC3-(2,4-dimethylphenyl)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]propanamide
SMILESCc1ccc(CCC(=O)NCCc2n[nH]c(C)n2)c(C)c1
InChIInChI=1S/C16H22N4O/c1-11-4-5-14(12(2)10-11)6-7-16(21)17-9-8-15-18-13(3)19-20-15/h4-5,10H,6-9H2,1-3H3,(H,17,21)(H,18,19,20)
InChIKeyRZHNNTBDQLAQNM-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.02
Rot. Bonds6

About 3-(2,4-dimethylphenyl)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]propanamide

3-(2,4-dimethylphenyl)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]propanamide (PubChem CID 71878396) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]propanamide
PubChem CID71878396
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name3-(2,4-dimethylphenyl)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]propanamide
SMILESCc1ccc(CCC(=O)NCCc2n[nH]c(C)n2)c(C)c1
InChIInChI=1S/C16H22N4O/c1-11-4-5-14(12(2)10-11)6-7-16(21)17-9-8-15-18-13(3)19-20-15/h4-5,10H,6-9H2,1-3H3,(H,17,21)(H,18,19,20)
InChIKeyRZHNNTBDQLAQNM-UHFFFAOYSA-N
XLogP2.02
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]propanamide?
The IUPAC name of 3-(2,4-dimethylphenyl)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]propanamide (CID 71878396) is 3-(2,4-dimethylphenyl)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-(2,4-dimethylphenyl)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]propanamide is Cc1ccc(CCC(=O)NCCc2n[nH]c(C)n2)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]propanamide?
The InChIKey is RZHNNTBDQLAQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11-4-5-14(12(2)10-11)6-7-16(21)17-9-8-15-18-13(3)19-20-15/h4-5,10H,6-9H2,1-3H3,(H,17,21)(H,18,19,20).
What are the key properties of 3-(2,4-dimethylphenyl)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]propanamide?
3-(2,4-dimethylphenyl)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]propanamide has a molecular weight of 286.38 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]propanamide is sourced from PubChem (CID 71878396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).