N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide

C15H27F3N2O2 — CID 47031359

IUPACN-[[1-(dimethylamino)cycloheptyl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(OCC(F)(F)F)C(=O)NCC1(N(C)C)CCCCCC1
InChIInChI=1S/C15H27F3N2O2/c1-12(22-11-15(16,17)18)13(21)19-10-14(20(2)3)8-6-4-5-7-9-14/h12H,4-11H2,1-3H3,(H,19,21)
InChIKeyXLJVCIYIJYIYGA-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.72
Rot. Bonds6

About N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide

N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 47031359) has the molecular formula C15H27F3N2O2 and a molecular weight of 324.39 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cycloheptyl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID47031359
Molecular FormulaC15H27F3N2O2
Molecular Weight324.39 g/mol
Exact Mass324.20
IUPAC NameN-[[1-(dimethylamino)cycloheptyl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(OCC(F)(F)F)C(=O)NCC1(N(C)C)CCCCCC1
InChIInChI=1S/C15H27F3N2O2/c1-12(22-11-15(16,17)18)13(21)19-10-14(20(2)3)8-6-4-5-7-9-14/h12H,4-11H2,1-3H3,(H,19,21)
InChIKeyXLJVCIYIJYIYGA-UHFFFAOYSA-N
XLogP2.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methoxypropanamide
CID 105420622
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-sulfanylpropanamide
CID 107034071
2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanamide
CID 61248438
N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-difluoroacetamide
CID 103516127
4-[[1-(dimethylamino)cyclobutyl]methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103499360
N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4,4-trifluorobutanamide
CID 122564590
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[[1-(dimethylamino)cyclohexyl]methyl]propanamide
CID 34950856
2-cyano-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide
CID 78996361
N,N'-bis[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanediamide
CID 167805292
(2R)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(3-methylphenoxy)propanamide
CID 94109673
3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbutanamide
CID 105417065
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924304

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide (CID 47031359) is N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide is CC(OCC(F)(F)F)C(=O)NCC1(N(C)C)CCCCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is XLJVCIYIJYIYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O2/c1-12(22-11-15(16,17)18)13(21)19-10-14(20(2)3)8-6-4-5-7-9-14/h12H,4-11H2,1-3H3,(H,19,21).
What are the key properties of N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide?
N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 324.39 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 47031359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).