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

C25H36N4O — CID 127032960

IUPAC3-[4-cyclobutyl-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCc2nnc(CCC3CCCCC3)n2C2CCC2)c(C)c1
InChIInChI=1S/C25H36N4O/c1-18-11-13-22(19(2)17-18)26-25(30)16-15-24-28-27-23(29(24)21-9-6-10-21)14-12-20-7-4-3-5-8-20/h11,13,17,20-21H,3-10,12,14-16H2,1-2H3,(H,26,30)
InChIKeyMWJNLALSLLUFEE-UHFFFAOYSA-N
MW408.59 g/mol
LogP5.70
Rot. Bonds8

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

3-[4-cyclobutyl-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide (PubChem CID 127032960) has the molecular formula C25H36N4O and a molecular weight of 408.59 g/mol. Its IUPAC name is 3-[4-cyclobutyl-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[4-cyclobutyl-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide
PubChem CID127032960
Molecular FormulaC25H36N4O
Molecular Weight408.59 g/mol
Exact Mass408.29
IUPAC Name3-[4-cyclobutyl-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCc2nnc(CCC3CCCCC3)n2C2CCC2)c(C)c1
InChIInChI=1S/C25H36N4O/c1-18-11-13-22(19(2)17-18)26-25(30)16-15-24-28-27-23(29(24)21-9-6-10-21)14-12-20-7-4-3-5-8-20/h11,13,17,20-21H,3-10,12,14-16H2,1-2H3,(H,26,30)
InChIKeyMWJNLALSLLUFEE-UHFFFAOYSA-N
XLogP5.70
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.59
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2-Cyclohexylethyl)-4-Ethyl-1,2,4-Triazol-3-Yl]-N-Naphthalen-1-Yl-Propanamide
CID 118704903
(3r,4r)-4-[4-Cyclopropyl-5-[3-(2-Methylpropyl)cyclobutyl]-1,2,4-Triazol-3-Yl]-N-(2,4-Dimethylphenyl)-1-Ethanoyl-Pyrrolidine-3-Carboxamide
CID 121345502
3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide
CID 90130771
3-[4-ethyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide
CID 121345638
3-[4-cyclopropyl-5-(4-methylpentyl)-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide
CID 121345804
N-(3-chloro-2-methylphenyl)-3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]propanamide
CID 121345817
3-[5-(2-cyclohexylethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide
CID 121345862
3-[5-(2-cyclohexylethyl)-4-(2,2-difluorocyclopropyl)-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide
CID 121345920
(3R,4S)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-1-methylpiperidine-3-carboxamide
CID 121346140
3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide
CID 121346173
3-[5-(3,3-dimethylbutyl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide
CID 121346198
3-[4-cyclopropyl-5-(4-methylpentyl)-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-5-hydroxypentanamide
CID 121346222

Frequently Asked Questions

What is the IUPAC name of 3-[4-cyclobutyl-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide?
The IUPAC name of 3-[4-cyclobutyl-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide (CID 127032960) is 3-[4-cyclobutyl-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[4-cyclobutyl-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide?
The canonical SMILES for 3-[4-cyclobutyl-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide is Cc1ccc(NC(=O)CCc2nnc(CCC3CCCCC3)n2C2CCC2)c(C)c1.
What is the InChIKey of 3-[4-cyclobutyl-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide?
The InChIKey is MWJNLALSLLUFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O/c1-18-11-13-22(19(2)17-18)26-25(30)16-15-24-28-27-23(29(24)21-9-6-10-21)14-12-20-7-4-3-5-8-20/h11,13,17,20-21H,3-10,12,14-16H2,1-2H3,(H,26,30).
What are the key properties of 3-[4-cyclobutyl-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide?
3-[4-cyclobutyl-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide has a molecular weight of 408.59 g/mol, XLogP of 5.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-cyclobutyl-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide is sourced from PubChem (CID 127032960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).