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

C23H34N4O — CID 121346161

IUPAC3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-N-(3,5-dimethylphenyl)propanamide
SMILESCCn1c(CCC(=O)Nc2cc(C)cc(C)c2)nnc1CCC1CCCCC1
InChIInChI=1S/C23H34N4O/c1-4-27-21(11-10-19-8-6-5-7-9-19)25-26-22(27)12-13-23(28)24-20-15-17(2)14-18(3)16-20/h14-16,19H,4-13H2,1-3H3,(H,24,28)
InChIKeyFHHJPIKZKMBVNW-UHFFFAOYSA-N
MW382.55 g/mol
LogP5.00
Rot. Bonds8

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

3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-N-(3,5-dimethylphenyl)propanamide (PubChem CID 121346161) has the molecular formula C23H34N4O and a molecular weight of 382.55 g/mol. Its IUPAC name is 3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-N-(3,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-N-(3,5-dimethylphenyl)propanamide
PubChem CID121346161
Molecular FormulaC23H34N4O
Molecular Weight382.55 g/mol
Exact Mass382.27
IUPAC Name3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-N-(3,5-dimethylphenyl)propanamide
SMILESCCn1c(CCC(=O)Nc2cc(C)cc(C)c2)nnc1CCC1CCCCC1
InChIInChI=1S/C23H34N4O/c1-4-27-21(11-10-19-8-6-5-7-9-19)25-26-22(27)12-13-23(28)24-20-15-17(2)14-18(3)16-20/h14-16,19H,4-13H2,1-3H3,(H,24,28)
InChIKeyFHHJPIKZKMBVNW-UHFFFAOYSA-N
XLogP5.00
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-N-(3,5-dimethylphenyl)propanamide?
The IUPAC name of 3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-N-(3,5-dimethylphenyl)propanamide (CID 121346161) is 3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-N-(3,5-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-N-(3,5-dimethylphenyl)propanamide?
The canonical SMILES for 3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-N-(3,5-dimethylphenyl)propanamide is CCn1c(CCC(=O)Nc2cc(C)cc(C)c2)nnc1CCC1CCCCC1.
What is the InChIKey of 3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-N-(3,5-dimethylphenyl)propanamide?
The InChIKey is FHHJPIKZKMBVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O/c1-4-27-21(11-10-19-8-6-5-7-9-19)25-26-22(27)12-13-23(28)24-20-15-17(2)14-18(3)16-20/h14-16,19H,4-13H2,1-3H3,(H,24,28).
What are the key properties of 3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-N-(3,5-dimethylphenyl)propanamide?
3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-N-(3,5-dimethylphenyl)propanamide has a molecular weight of 382.55 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-N-(3,5-dimethylphenyl)propanamide is sourced from PubChem (CID 121346161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).