2,2-dimethyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]propanamide

C12H21F3N2O — CID 102609550

IUPAC2,2-dimethyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]propanamide
SMILESCC(C)(CNC1CCCC(C(F)(F)F)C1)C(N)=O
InChIInChI=1S/C12H21F3N2O/c1-11(2,10(16)18)7-17-9-5-3-4-8(6-9)12(13,14)15/h8-9,17H,3-7H2,1-2H3,(H2,16,18)
InChIKeyRWLTZNQTMRXGDA-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.21
Rot. Bonds4

About 2,2-dimethyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]propanamide

2,2-dimethyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]propanamide (PubChem CID 102609550) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]propanamide
PubChem CID102609550
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name2,2-dimethyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]propanamide
SMILESCC(C)(CNC1CCCC(C(F)(F)F)C1)C(N)=O
InChIInChI=1S/C12H21F3N2O/c1-11(2,10(16)18)7-17-9-5-3-4-8(6-9)12(13,14)15/h8-9,17H,3-7H2,1-2H3,(H2,16,18)
InChIKeyRWLTZNQTMRXGDA-UHFFFAOYSA-N
XLogP2.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trifluoro-N-(4-methylcyclohexyl)propanamide
CID 45806657
2,2-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]propanamide
CID 60727758
(3S)-3-cyclohexyl-3-(2,2,2-trifluoroethylamino)propanamide
CID 97353412
3-[[(S)-cyclohexyl(cyclopropyl)methyl]amino]-2,2-dimethylpropanamide
CID 99853782
N-butan-2-yl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propanamide
CID 121515902
3-[(3,3-Difluoro-2,2-dimethylpentyl)amino]cyclohexane-1-carboxamide
CID 132396558
N-[[(1R,5S)-5-amino-1,3,3-trimethylcyclohexyl]methyl]-2,2,2-trifluoroacetamide
CID 59970268
2,2-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]propanamide
CID 60727482
N-(4-ethylcyclohexyl)-3,3,3-trifluoropropanamide
CID 68387695
2,2-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]butanamide
CID 118894920
4,4,4-trifluoro-N-[(1R)-2-methylcyclohexyl]butanamide
CID 137472622
2,2-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]butanamide;methane
CID 161545711

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]propanamide?
The IUPAC name of 2,2-dimethyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]propanamide (CID 102609550) is 2,2-dimethyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]propanamide.
What is the SMILES notation for 2,2-dimethyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]propanamide?
The canonical SMILES for 2,2-dimethyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]propanamide is CC(C)(CNC1CCCC(C(F)(F)F)C1)C(N)=O.
What is the InChIKey of 2,2-dimethyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]propanamide?
The InChIKey is RWLTZNQTMRXGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-11(2,10(16)18)7-17-9-5-3-4-8(6-9)12(13,14)15/h8-9,17H,3-7H2,1-2H3,(H2,16,18).
What are the key properties of 2,2-dimethyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]propanamide?
2,2-dimethyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]propanamide has a molecular weight of 266.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]propanamide is sourced from PubChem (CID 102609550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).