N-(2-aminoethyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide

C12H21F3N2O2 — CID 103205486

IUPACN-(2-aminoethyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESNCCN(C(=O)CCOCC(F)(F)F)C1CCCC1
InChIInChI=1S/C12H21F3N2O2/c13-12(14,15)9-19-8-5-11(18)17(7-6-16)10-3-1-2-4-10/h10H,1-9,16H2
InChIKeyPPEWOMORGUHGGS-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.69
Rot. Bonds7

About N-(2-aminoethyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide

N-(2-aminoethyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103205486) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103205486
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC NameN-(2-aminoethyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESNCCN(C(=O)CCOCC(F)(F)F)C1CCCC1
InChIInChI=1S/C12H21F3N2O2/c13-12(14,15)9-19-8-5-11(18)17(7-6-16)10-3-1-2-4-10/h10H,1-9,16H2
InChIKeyPPEWOMORGUHGGS-UHFFFAOYSA-N
XLogP1.69
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 51077296
N-(2-piperidin-1-ylethyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 52245350
2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide
CID 54871759
2-(cyclopentylamino)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 60946792
N-(2-aminoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide
CID 63755881
2-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide
CID 81082970
2-amino-N-(3-ethoxypropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide
CID 81082971
2-amino-3-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 81083355
3-ethoxy-N-[6-(trifluoromethyl)piperidin-3-yl]propanamide
CID 82810734
3-propoxy-N-[6-(trifluoromethyl)piperidin-3-yl]propanamide
CID 82810860
(2S)-2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide
CID 93371952
(2R)-2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide
CID 93371953

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(2-aminoethyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide (CID 103205486) is N-(2-aminoethyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(2-aminoethyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(2-aminoethyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide is NCCN(C(=O)CCOCC(F)(F)F)C1CCCC1.
What is the InChIKey of N-(2-aminoethyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is PPEWOMORGUHGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c13-12(14,15)9-19-8-5-11(18)17(7-6-16)10-3-1-2-4-10/h10H,1-9,16H2.
What are the key properties of N-(2-aminoethyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide?
N-(2-aminoethyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 282.31 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103205486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).