2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(4,4,4-trifluoro-1-phenylbutyl)acetamide

C18H24F3N5O — CID 166303644

IUPAC2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(4,4,4-trifluoro-1-phenylbutyl)acetamide
SMILESCc1nnc(CN(C)CC(=O)NC(CCC(F)(F)F)c2ccccc2)n1C
InChIInChI=1S/C18H24F3N5O/c1-13-23-24-16(26(13)3)11-25(2)12-17(27)22-15(9-10-18(19,20)21)14-7-5-4-6-8-14/h4-8,15H,9-12H2,1-3H3,(H,22,27)
InChIKeyAAMRQEHCJDJGID-UHFFFAOYSA-N
MW383.42 g/mol
LogP2.76
Rot. Bonds8

About 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(4,4,4-trifluoro-1-phenylbutyl)acetamide

2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(4,4,4-trifluoro-1-phenylbutyl)acetamide (PubChem CID 166303644) has the molecular formula C18H24F3N5O and a molecular weight of 383.42 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(4,4,4-trifluoro-1-phenylbutyl)acetamide.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(4,4,4-trifluoro-1-phenylbutyl)acetamide
PubChem CID166303644
Molecular FormulaC18H24F3N5O
Molecular Weight383.42 g/mol
Exact Mass383.19
IUPAC Name2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(4,4,4-trifluoro-1-phenylbutyl)acetamide
SMILESCc1nnc(CN(C)CC(=O)NC(CCC(F)(F)F)c2ccccc2)n1C
InChIInChI=1S/C18H24F3N5O/c1-13-23-24-16(26(13)3)11-25(2)12-17(27)22-15(9-10-18(19,20)21)14-7-5-4-6-8-14/h4-8,15H,9-12H2,1-3H3,(H,22,27)
InChIKeyAAMRQEHCJDJGID-UHFFFAOYSA-N
XLogP2.76
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(4,4,4-trifluoro-1-phenylbutyl)acetamide with MolForge

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Related Compounds

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]acetamide
CID 119526757
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-[2-(4-fluorophenyl)propan-2-yl]acetamide
CID 71866846
(2R)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-[(1R)-1-phenylethyl]propanamide
CID 98775522
N-[3-(aminomethyl)pentan-3-yl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]acetamide;dihydrochloride
CID 119571144
N-methyl-4-[[methyl-[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl]amino]methyl]benzamide
CID 9125717
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 87015904
(3S)-3-phenyl-3-(4,4,4-trifluorobutanoylamino)propanoic acid
CID 94831306
4,4,4-trifluoro-N-[(1S)-3-[2-[2-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)butyl]pyrrolidin-1-yl]-1-phenylpropyl]butanamide
CID 59118767
N-[2-(dimethylamino)-1-phenylethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958162
2-[methyl-[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]acetamide
CID 94404650
methyl 3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-2-methylpropanoate
CID 61235969
2-[methyl-[2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 8913845

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(4,4,4-trifluoro-1-phenylbutyl)acetamide?
The IUPAC name of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(4,4,4-trifluoro-1-phenylbutyl)acetamide (CID 166303644) is 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(4,4,4-trifluoro-1-phenylbutyl)acetamide.
What is the SMILES notation for 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(4,4,4-trifluoro-1-phenylbutyl)acetamide?
The canonical SMILES for 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(4,4,4-trifluoro-1-phenylbutyl)acetamide is Cc1nnc(CN(C)CC(=O)NC(CCC(F)(F)F)c2ccccc2)n1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(4,4,4-trifluoro-1-phenylbutyl)acetamide?
The InChIKey is AAMRQEHCJDJGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N5O/c1-13-23-24-16(26(13)3)11-25(2)12-17(27)22-15(9-10-18(19,20)21)14-7-5-4-6-8-14/h4-8,15H,9-12H2,1-3H3,(H,22,27).
What are the key properties of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(4,4,4-trifluoro-1-phenylbutyl)acetamide?
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(4,4,4-trifluoro-1-phenylbutyl)acetamide has a molecular weight of 383.42 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(4,4,4-trifluoro-1-phenylbutyl)acetamide is sourced from PubChem (CID 166303644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).