N-(2,3-dimethylcyclohexyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide

C15H27F3N2O2 — CID 111022273

IUPACN-(2,3-dimethylcyclohexyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide
SMILESCC1CCCC(NC(=O)CN(CCCO)CC(F)(F)F)C1C
InChIInChI=1S/C15H27F3N2O2/c1-11-5-3-6-13(12(11)2)19-14(22)9-20(7-4-8-21)10-15(16,17)18/h11-13,21H,3-10H2,1-2H3,(H,19,22)
InChIKeyKUTGGZGKPZXWJC-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.17
Rot. Bonds7

About N-(2,3-dimethylcyclohexyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide

N-(2,3-dimethylcyclohexyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide (PubChem CID 111022273) has the molecular formula C15H27F3N2O2 and a molecular weight of 324.39 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide
PubChem CID111022273
Molecular FormulaC15H27F3N2O2
Molecular Weight324.39 g/mol
Exact Mass324.20
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide
SMILESCC1CCCC(NC(=O)CN(CCCO)CC(F)(F)F)C1C
InChIInChI=1S/C15H27F3N2O2/c1-11-5-3-6-13(12(11)2)19-14(22)9-20(7-4-8-21)10-15(16,17)18/h11-13,21H,3-10H2,1-2H3,(H,19,22)
InChIKeyKUTGGZGKPZXWJC-UHFFFAOYSA-N
XLogP2.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(diethylamino)propyl]-N'-[(1R,2S,3S)-2,3-dimethylcyclohexyl]butanediamide
CID 11896621
N-cyclopropyl-2-[[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 11934719
2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
CID 111110103
N-(2,3-dimethylcyclohexyl)decanamide;ethane
CID 143436811
2-[(4-aminocyclohexyl)-methylamino]-N-(2,3-dimethylcyclohexyl)acetamide
CID 79113302
5-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-5-oxopentanoic acid
CID 7317755
N-(2,3-dimethylcyclohexyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide
CID 109398199
2-[azetidin-3-yl(propyl)amino]-N-(2,3-dimethylcyclohexyl)acetamide
CID 66213902
N-(2,3-dimethylcyclohexyl)tridecanamide
CID 57307251
2-[benzhydryl(3-hydroxypropyl)amino]-N-(2-methylcyclohexyl)acetamide
CID 56513235
N-(2,3-dimethylcyclohexyl)-2-(propan-2-ylamino)acetamide
CID 60648714
2-bromo-N-(2-methylcyclopentyl)acetamide
CID 63681266

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide (CID 111022273) is N-(2,3-dimethylcyclohexyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide is CC1CCCC(NC(=O)CN(CCCO)CC(F)(F)F)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide?
The InChIKey is KUTGGZGKPZXWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O2/c1-11-5-3-6-13(12(11)2)19-14(22)9-20(7-4-8-21)10-15(16,17)18/h11-13,21H,3-10H2,1-2H3,(H,19,22).
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide?
N-(2,3-dimethylcyclohexyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide has a molecular weight of 324.39 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide is sourced from PubChem (CID 111022273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).