N-[4-(4-phenylbutan-2-ylamino)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide

C16H18F3N5O — CID 20675899

IUPACN-[4-(4-phenylbutan-2-ylamino)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide
SMILESCC(=O)Nc1nc(NC(C)CCc2ccccc2)nc(C(F)(F)F)n1
InChIInChI=1S/C16H18F3N5O/c1-10(8-9-12-6-4-3-5-7-12)20-14-22-13(16(17,18)19)23-15(24-14)21-11(2)25/h3-7,10H,8-9H2,1-2H3,(H2,20,21,22,23,24,25)
InChIKeyDEZIJGOVTUMAPQ-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.28
Rot. Bonds6

About N-[4-(4-phenylbutan-2-ylamino)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide

N-[4-(4-phenylbutan-2-ylamino)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide (PubChem CID 20675899) has the molecular formula C16H18F3N5O and a molecular weight of 353.35 g/mol. Its IUPAC name is N-[4-(4-phenylbutan-2-ylamino)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-phenylbutan-2-ylamino)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide
PubChem CID20675899
Molecular FormulaC16H18F3N5O
Molecular Weight353.35 g/mol
Exact Mass353.15
IUPAC NameN-[4-(4-phenylbutan-2-ylamino)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide
SMILESCC(=O)Nc1nc(NC(C)CCc2ccccc2)nc(C(F)(F)F)n1
InChIInChI=1S/C16H18F3N5O/c1-10(8-9-12-6-4-3-5-7-12)20-14-22-13(16(17,18)19)23-15(24-14)21-11(2)25/h3-7,10H,8-9H2,1-2H3,(H2,20,21,22,23,24,25)
InChIKeyDEZIJGOVTUMAPQ-UHFFFAOYSA-N
XLogP3.28
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
N-(4-phenylbutan-2-yl)-2-(trifluoromethyl)aniline
CID 43098311
2,2,2-trifluoro-N-(4-phenylbutan-2-yl)acetamide
CID 4564814
ethyl 4-(4-phenylbutan-2-ylamino)-2-(trifluoromethyl)quinazoline-6-carboxylate
CID 22332792
N-[4-methyl-6-[4-(5-methylthiophen-2-yl)butan-2-ylamino]-1,3,5-triazin-2-yl]acetamide
CID 22091002
ethane;6-methyl-2-N-[(2R)-4-phenylbutan-2-yl]-1,3,5-triazine-2,4-diamine
CID 91072276
2,2-dimethyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 51374320
4-chloro-N-(1-phenylpentan-3-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine;2-N-(1-phenylpentan-3-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 169424124
2-N-methyl-6-N-(4-phenylbutan-2-yl)pyridine-2,6-diamine
CID 80811958
methyl 6-(4-phenylbutan-2-ylamino)pyrazine-2-carboxylate
CID 66456714
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
N-[4-[4-(2,5-dimethylthiophen-3-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
CID 22090942

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-phenylbutan-2-ylamino)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide?
The IUPAC name of N-[4-(4-phenylbutan-2-ylamino)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide (CID 20675899) is N-[4-(4-phenylbutan-2-ylamino)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide.
What is the SMILES notation for N-[4-(4-phenylbutan-2-ylamino)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide?
The canonical SMILES for N-[4-(4-phenylbutan-2-ylamino)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide is CC(=O)Nc1nc(NC(C)CCc2ccccc2)nc(C(F)(F)F)n1.
What is the InChIKey of N-[4-(4-phenylbutan-2-ylamino)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide?
The InChIKey is DEZIJGOVTUMAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O/c1-10(8-9-12-6-4-3-5-7-12)20-14-22-13(16(17,18)19)23-15(24-14)21-11(2)25/h3-7,10H,8-9H2,1-2H3,(H2,20,21,22,23,24,25).
What are the key properties of N-[4-(4-phenylbutan-2-ylamino)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide?
N-[4-(4-phenylbutan-2-ylamino)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide has a molecular weight of 353.35 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-phenylbutan-2-ylamino)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide is sourced from PubChem (CID 20675899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).