N-butyl-2-[1-(methylamino)cyclohexyl]-N-(2,2,2-trifluoroethyl)acetamide

C15H27F3N2O — CID 65242064

IUPACN-butyl-2-[1-(methylamino)cyclohexyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCN(CC(F)(F)F)C(=O)CC1(NC)CCCCC1
InChIInChI=1S/C15H27F3N2O/c1-3-4-10-20(12-15(16,17)18)13(21)11-14(19-2)8-6-5-7-9-14/h19H,3-12H2,1-2H3
InChIKeyQFHWJEMCHVGTCU-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.49
Rot. Bonds7

About N-butyl-2-[1-(methylamino)cyclohexyl]-N-(2,2,2-trifluoroethyl)acetamide

N-butyl-2-[1-(methylamino)cyclohexyl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 65242064) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is N-butyl-2-[1-(methylamino)cyclohexyl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-butyl-2-[1-(methylamino)cyclohexyl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID65242064
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC NameN-butyl-2-[1-(methylamino)cyclohexyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCN(CC(F)(F)F)C(=O)CC1(NC)CCCCC1
InChIInChI=1S/C15H27F3N2O/c1-3-4-10-20(12-15(16,17)18)13(21)11-14(19-2)8-6-5-7-9-14/h19H,3-12H2,1-2H3
InChIKeyQFHWJEMCHVGTCU-UHFFFAOYSA-N
XLogP3.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[butyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60948403
N-[2-(dimethylamino)ethyl]-2-[1-(methylamino)cyclohexyl]-N-propylacetamide
CID 65242275
N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)acetamide
CID 60809342
N-butyl-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 78866720
N,N-bis(cyanomethyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240429
N-butyl-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide
CID 112687242
N-ethyl-N-(2-ethylbutyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242290
N-butyl-4-chloro-N-(2,2,2-trifluoroethyl)butanamide
CID 63307840
1-(aminomethyl)-N-butyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 113312851
2-(1-aminocyclobutyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 79854442
N-butyl-2-propoxy-N-(2,2,2-trifluoroethyl)acetamide
CID 113227401
N-butyl-3-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 63131888

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[1-(methylamino)cyclohexyl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-butyl-2-[1-(methylamino)cyclohexyl]-N-(2,2,2-trifluoroethyl)acetamide (CID 65242064) is N-butyl-2-[1-(methylamino)cyclohexyl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-butyl-2-[1-(methylamino)cyclohexyl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-butyl-2-[1-(methylamino)cyclohexyl]-N-(2,2,2-trifluoroethyl)acetamide is CCCCN(CC(F)(F)F)C(=O)CC1(NC)CCCCC1.
What is the InChIKey of N-butyl-2-[1-(methylamino)cyclohexyl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is QFHWJEMCHVGTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O/c1-3-4-10-20(12-15(16,17)18)13(21)11-14(19-2)8-6-5-7-9-14/h19H,3-12H2,1-2H3.
What are the key properties of N-butyl-2-[1-(methylamino)cyclohexyl]-N-(2,2,2-trifluoroethyl)acetamide?
N-butyl-2-[1-(methylamino)cyclohexyl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 308.39 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[1-(methylamino)cyclohexyl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 65242064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).