N-(3-methylbutan-2-yl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide

C16H23F3N2O — CID 60502342

IUPACN-(3-methylbutan-2-yl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide
SMILESCC(C)C(C)NC(=O)CN(C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H23F3N2O/c1-11(2)12(3)20-15(22)10-21(4)9-13-6-5-7-14(8-13)16(17,18)19/h5-8,11-12H,9-10H2,1-4H3,(H,20,22)
InChIKeyKHLUQOUOLVRCCC-UHFFFAOYSA-N
MW316.37 g/mol
LogP3.30
Rot. Bonds6

About N-(3-methylbutan-2-yl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide

N-(3-methylbutan-2-yl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide (PubChem CID 60502342) has the molecular formula C16H23F3N2O and a molecular weight of 316.37 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide
PubChem CID60502342
Molecular FormulaC16H23F3N2O
Molecular Weight316.37 g/mol
Exact Mass316.18
IUPAC NameN-(3-methylbutan-2-yl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide
SMILESCC(C)C(C)NC(=O)CN(C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H23F3N2O/c1-11(2)12(3)20-15(22)10-21(4)9-13-6-5-7-14(8-13)16(17,18)19/h5-8,11-12H,9-10H2,1-4H3,(H,20,22)
InChIKeyKHLUQOUOLVRCCC-UHFFFAOYSA-N
XLogP3.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[benzyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2315099
N-(2-methylcyclohexyl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 60502177
3-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzoic acid
CID 54940692
3-methyl-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanoic acid
CID 43238852
2-[(3-hydroxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 79673031
N-(1-hydroxypropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 43418851
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456998
N-[(2S)-3-methylbutan-2-yl]-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 100562884
3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 43177982
N-methyl-N-[(3-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 570901
2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895
3-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 119737530

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide?
The IUPAC name of N-(3-methylbutan-2-yl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide (CID 60502342) is N-(3-methylbutan-2-yl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide is CC(C)C(C)NC(=O)CN(C)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(3-methylbutan-2-yl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide?
The InChIKey is KHLUQOUOLVRCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O/c1-11(2)12(3)20-15(22)10-21(4)9-13-6-5-7-14(8-13)16(17,18)19/h5-8,11-12H,9-10H2,1-4H3,(H,20,22).
What are the key properties of N-(3-methylbutan-2-yl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide?
N-(3-methylbutan-2-yl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide has a molecular weight of 316.37 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide is sourced from PubChem (CID 60502342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).