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

C22H32N4O — CID 121346049

IUPAC3-[4-cyclopropyl-5-(3-methylpentyl)-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide
SMILESCCC(C)CCc1nnc(CCC(=O)Nc2ccc(C)cc2C)n1C1CC1
InChIInChI=1S/C22H32N4O/c1-5-15(2)7-11-20-24-25-21(26(20)18-8-9-18)12-13-22(27)23-19-10-6-16(3)14-17(19)4/h6,10,14-15,18H,5,7-9,11-13H2,1-4H3,(H,23,27)
InChIKeyUTGGRCANPVTWAT-UHFFFAOYSA-N
MW368.53 g/mol
LogP4.78
Rot. Bonds9

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

3-[4-cyclopropyl-5-(3-methylpentyl)-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide (PubChem CID 121346049) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is 3-[4-cyclopropyl-5-(3-methylpentyl)-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[4-cyclopropyl-5-(3-methylpentyl)-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide
PubChem CID121346049
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name3-[4-cyclopropyl-5-(3-methylpentyl)-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide
SMILESCCC(C)CCc1nnc(CCC(=O)Nc2ccc(C)cc2C)n1C1CC1
InChIInChI=1S/C22H32N4O/c1-5-15(2)7-11-20-24-25-21(26(20)18-8-9-18)12-13-22(27)23-19-10-6-16(3)14-17(19)4/h6,10,14-15,18H,5,7-9,11-13H2,1-4H3,(H,23,27)
InChIKeyUTGGRCANPVTWAT-UHFFFAOYSA-N
XLogP4.78
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-cyclopropyl-5-(3-methylpentyl)-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide?
The IUPAC name of 3-[4-cyclopropyl-5-(3-methylpentyl)-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide (CID 121346049) is 3-[4-cyclopropyl-5-(3-methylpentyl)-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[4-cyclopropyl-5-(3-methylpentyl)-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide?
The canonical SMILES for 3-[4-cyclopropyl-5-(3-methylpentyl)-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide is CCC(C)CCc1nnc(CCC(=O)Nc2ccc(C)cc2C)n1C1CC1.
What is the InChIKey of 3-[4-cyclopropyl-5-(3-methylpentyl)-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide?
The InChIKey is UTGGRCANPVTWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O/c1-5-15(2)7-11-20-24-25-21(26(20)18-8-9-18)12-13-22(27)23-19-10-6-16(3)14-17(19)4/h6,10,14-15,18H,5,7-9,11-13H2,1-4H3,(H,23,27).
What are the key properties of 3-[4-cyclopropyl-5-(3-methylpentyl)-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide?
3-[4-cyclopropyl-5-(3-methylpentyl)-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide has a molecular weight of 368.53 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-cyclopropyl-5-(3-methylpentyl)-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide is sourced from PubChem (CID 121346049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).