N-[4-(ethylamino)cyclohexyl]-3-(2,2,2-trifluoroethoxy)propanamide

C13H23F3N2O2 — CID 103206325

IUPACN-[4-(ethylamino)cyclohexyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCCNC1CCC(NC(=O)CCOCC(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O2/c1-2-17-10-3-5-11(6-4-10)18-12(19)7-8-20-9-13(14,15)16/h10-11,17H,2-9H2,1H3,(H,18,19)
InChIKeyHITJQHLVEHLXTE-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.99
Rot. Bonds7

About N-[4-(ethylamino)cyclohexyl]-3-(2,2,2-trifluoroethoxy)propanamide

N-[4-(ethylamino)cyclohexyl]-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103206325) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[4-(ethylamino)cyclohexyl]-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[4-(ethylamino)cyclohexyl]-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103206325
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC NameN-[4-(ethylamino)cyclohexyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCCNC1CCC(NC(=O)CCOCC(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O2/c1-2-17-10-3-5-11(6-4-10)18-12(19)7-8-20-9-13(14,15)16/h10-11,17H,2-9H2,1H3,(H,18,19)
InChIKeyHITJQHLVEHLXTE-UHFFFAOYSA-N
XLogP1.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(ethylamino)cyclohexyl]-3,3,3-trifluoropropanamide
CID 43653338
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103805909
N-(azepan-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 105061008
3-(2-amino-2-ethylbutoxy)-N-cyclopropylpropanamide
CID 64574012
2-(cyclopropylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 63826371
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103806941
N-(2-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103206930
N-(4-aminocyclohexyl)-3-ethoxypropanamide;hydrochloride
CID 119475217
N-(2-amino-4-ethoxycyclobutyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103209582
N-(1-hydroxy-2-methylpropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 43500828
cis-(1R,3S)-3-(3-propoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 106321388
N-[(2-methylpropan-2-yl)oxy]-3-(2,2,2-trifluoroethoxy)propanamide
CID 82724826

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylamino)cyclohexyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[4-(ethylamino)cyclohexyl]-3-(2,2,2-trifluoroethoxy)propanamide (CID 103206325) is N-[4-(ethylamino)cyclohexyl]-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[4-(ethylamino)cyclohexyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[4-(ethylamino)cyclohexyl]-3-(2,2,2-trifluoroethoxy)propanamide is CCNC1CCC(NC(=O)CCOCC(F)(F)F)CC1.
What is the InChIKey of N-[4-(ethylamino)cyclohexyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is HITJQHLVEHLXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-2-17-10-3-5-11(6-4-10)18-12(19)7-8-20-9-13(14,15)16/h10-11,17H,2-9H2,1H3,(H,18,19).
What are the key properties of N-[4-(ethylamino)cyclohexyl]-3-(2,2,2-trifluoroethoxy)propanamide?
N-[4-(ethylamino)cyclohexyl]-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 296.33 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylamino)cyclohexyl]-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103206325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).