2-[[(1R)-1-cycloheptylethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide

C13H23F3N2O — CID 81393575

IUPAC2-[[(1R)-1-cycloheptylethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESC[C@@H](NCC(=O)NCC(F)(F)F)C1CCCCCC1
InChIInChI=1S/C13H23F3N2O/c1-10(11-6-4-2-3-5-7-11)17-8-12(19)18-9-13(14,15)16/h10-11,17H,2-9H2,1H3,(H,18,19)/t10-/m1/s1
InChIKeyHKXQRKPTFFJZRE-SNVBAGLBSA-N
MW280.33 g/mol
LogP2.61
Rot. Bonds5

About 2-[[(1R)-1-cycloheptylethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[[(1R)-1-cycloheptylethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 81393575) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[[(1R)-1-cycloheptylethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[(1R)-1-cycloheptylethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID81393575
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name2-[[(1R)-1-cycloheptylethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESC[C@@H](NCC(=O)NCC(F)(F)F)C1CCCCCC1
InChIInChI=1S/C13H23F3N2O/c1-10(11-6-4-2-3-5-7-11)17-8-12(19)18-9-13(14,15)16/h10-11,17H,2-9H2,1H3,(H,18,19)/t10-/m1/s1
InChIKeyHKXQRKPTFFJZRE-SNVBAGLBSA-N
XLogP2.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1R)-1-cyclopentylethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 81388594
2-[[(1R)-1-cyclohexylethyl]amino]-N-ethylacetamide
CID 81385685
N-(1-cyclohexylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79005691
2-[[(1R)-1-cycloheptylethyl]amino]-N-propylacetamide
CID 81393570
N-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]acetamide
CID 81393673
N-(cyanomethyl)-2-(1-cyclohexylethylamino)acetamide
CID 62407707
N-[(1R)-1-cyclopentylethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 81389110
N-(cyanomethyl)-2-[[(1R)-1-cycloheptylethyl]amino]acetamide
CID 81393576
N-tert-butyl-2-[[(1R)-1-cycloheptylethyl]amino]acetamide
CID 81393192
N-butyl-2-[[(1R)-1-cyclohexylethyl]amino]acetamide
CID 81384625
2-(1-cyclohexylethylamino)-N-prop-2-enylacetamide
CID 115903241
2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-methoxyethyl)acetamide
CID 81392388

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-cycloheptylethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[[(1R)-1-cycloheptylethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 81393575) is 2-[[(1R)-1-cycloheptylethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[[(1R)-1-cycloheptylethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[[(1R)-1-cycloheptylethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide is C[C@@H](NCC(=O)NCC(F)(F)F)C1CCCCCC1.
What is the InChIKey of 2-[[(1R)-1-cycloheptylethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is HKXQRKPTFFJZRE-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-10(11-6-4-2-3-5-7-11)17-8-12(19)18-9-13(14,15)16/h10-11,17H,2-9H2,1H3,(H,18,19)/t10-/m1/s1.
What are the key properties of 2-[[(1R)-1-cycloheptylethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[[(1R)-1-cycloheptylethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 280.33 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-cycloheptylethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 81393575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).