2-[1-(methylamino)cyclohexyl]-N-(4,4,4-trifluorobutyl)acetamide

C13H23F3N2O — CID 115519309

IUPAC2-[1-(methylamino)cyclohexyl]-N-(4,4,4-trifluorobutyl)acetamide
SMILESCNC1(CC(=O)NCCCC(F)(F)F)CCCCC1
InChIInChI=1S/C13H23F3N2O/c1-17-12(6-3-2-4-7-12)10-11(19)18-9-5-8-13(14,15)16/h17H,2-10H2,1H3,(H,18,19)
InChIKeyNJUDWCRQMVLPBN-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.76
Rot. Bonds6

About 2-[1-(methylamino)cyclohexyl]-N-(4,4,4-trifluorobutyl)acetamide

2-[1-(methylamino)cyclohexyl]-N-(4,4,4-trifluorobutyl)acetamide (PubChem CID 115519309) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[1-(methylamino)cyclohexyl]-N-(4,4,4-trifluorobutyl)acetamide.

Molecular Properties

Compound Name2-[1-(methylamino)cyclohexyl]-N-(4,4,4-trifluorobutyl)acetamide
PubChem CID115519309
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name2-[1-(methylamino)cyclohexyl]-N-(4,4,4-trifluorobutyl)acetamide
SMILESCNC1(CC(=O)NCCCC(F)(F)F)CCCCC1
InChIInChI=1S/C13H23F3N2O/c1-17-12(6-3-2-4-7-12)10-11(19)18-9-5-8-13(14,15)16/h17H,2-10H2,1H3,(H,18,19)
InChIKeyNJUDWCRQMVLPBN-UHFFFAOYSA-N
XLogP2.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-cyclohexyl-N-[3-(dimethylamino)propyl]propanamide
CID 2582372
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 53509297
N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 53511040
2-[[2-[4-(Trifluoromethyl)cyclohexyl]acetyl]amino]cyclopentane-1-carboxamide
CID 75502548
N-(4-amino-2-methyl-4-oxobutan-2-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 86789781
(3S)-3-cyclohexyl-3-(2,2,2-trifluoroethylamino)propanamide
CID 97353412
N-[3-(dimethylamino)propyl]-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide
CID 4200833
2-cyclohexyl-N-(2-fluoroethyl)acetamide
CID 18360952
N-[3-(dimethylamino)propyl]-1,2,2,3,3,4,5,5,6,6-decafluoro-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 19371063
2-acetamido-3-fluoro-N-methylcyclohexane-1-carboxamide
CID 22090837
2,2,2-trifluoro-N-[(1S,2R)-2-(4-methylpiperidine-1-carbonyl)cyclohexyl]acetamide
CID 22849533
N-[(4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-oxopentyl]-4-methylpentanamide
CID 54490474

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylamino)cyclohexyl]-N-(4,4,4-trifluorobutyl)acetamide?
The IUPAC name of 2-[1-(methylamino)cyclohexyl]-N-(4,4,4-trifluorobutyl)acetamide (CID 115519309) is 2-[1-(methylamino)cyclohexyl]-N-(4,4,4-trifluorobutyl)acetamide.
What is the SMILES notation for 2-[1-(methylamino)cyclohexyl]-N-(4,4,4-trifluorobutyl)acetamide?
The canonical SMILES for 2-[1-(methylamino)cyclohexyl]-N-(4,4,4-trifluorobutyl)acetamide is CNC1(CC(=O)NCCCC(F)(F)F)CCCCC1.
What is the InChIKey of 2-[1-(methylamino)cyclohexyl]-N-(4,4,4-trifluorobutyl)acetamide?
The InChIKey is NJUDWCRQMVLPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-17-12(6-3-2-4-7-12)10-11(19)18-9-5-8-13(14,15)16/h17H,2-10H2,1H3,(H,18,19).
What are the key properties of 2-[1-(methylamino)cyclohexyl]-N-(4,4,4-trifluorobutyl)acetamide?
2-[1-(methylamino)cyclohexyl]-N-(4,4,4-trifluorobutyl)acetamide has a molecular weight of 280.33 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylamino)cyclohexyl]-N-(4,4,4-trifluorobutyl)acetamide is sourced from PubChem (CID 115519309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).