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

C13H23F3N2O2 — CID 103205344

IUPACN-(3-aminopropyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESNCCCN(C(=O)CCOCC(F)(F)F)C1CCCC1
InChIInChI=1S/C13H23F3N2O2/c14-13(15,16)10-20-9-6-12(19)18(8-3-7-17)11-4-1-2-5-11/h11H,1-10,17H2
InChIKeyOWFQGRINLJDOAS-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.08
Rot. Bonds8

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

N-(3-aminopropyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103205344) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103205344
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC NameN-(3-aminopropyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESNCCCN(C(=O)CCOCC(F)(F)F)C1CCCC1
InChIInChI=1S/C13H23F3N2O2/c14-13(15,16)10-20-9-6-12(19)18(8-3-7-17)11-4-1-2-5-11/h11H,1-10,17H2
InChIKeyOWFQGRINLJDOAS-UHFFFAOYSA-N
XLogP2.08
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.08
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-(3-aminopropyl)-N-cyclopentyl-3,3,3-trifluoropropanamide
CID 43136818
N-(3-aminopropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 43253977
N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 51077296
3-ethoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 62588606
3-methoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 62590040
N-piperidin-4-yl-3-propoxy-N-(2,2,2-trifluoroethyl)propanamide
CID 62715976
3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide
CID 81976103
N-(3-aminopropyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide
CID 82005349
N-(3-aminopropyl)-N-methyl-3-(3,3,3-trifluoropropoxy)propanamide
CID 82953843
1-(4-Aminopiperidin-1-yl)-3-(2,2-difluoroethoxy)propan-1-one
CID 103205270
1-[4-(Ethylamino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103205271
3-(2,2-Difluoroethoxy)-1-[4-(ethylamino)piperidin-1-yl]propan-1-one
CID 103205272

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide (CID 103205344) is N-(3-aminopropyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide is NCCCN(C(=O)CCOCC(F)(F)F)C1CCCC1.
What is the InChIKey of N-(3-aminopropyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is OWFQGRINLJDOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c14-13(15,16)10-20-9-6-12(19)18(8-3-7-17)11-4-1-2-5-11/h11H,1-10,17H2.
What are the key properties of N-(3-aminopropyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide?
N-(3-aminopropyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 296.33 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103205344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).