1-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide

C13H23F3N2O2 — CID 60946791

IUPAC1-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)C1(N)CCCC1
InChIInChI=1S/C13H23F3N2O2/c1-2-20-9-5-8-18(10-13(14,15)16)11(19)12(17)6-3-4-7-12/h2-10,17H2,1H3
InChIKeyQYIVTGXGELUGOY-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.08
Rot. Bonds7

About 1-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide

1-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide (PubChem CID 60946791) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
PubChem CID60946791
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name1-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)C1(N)CCCC1
InChIInChI=1S/C13H23F3N2O2/c1-2-20-9-5-8-18(10-13(14,15)16)11(19)12(17)6-3-4-7-12/h2-10,17H2,1H3
InChIKeyQYIVTGXGELUGOY-UHFFFAOYSA-N
XLogP2.08
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide (CID 60946791) is 1-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide is CCOCCCN(CC(F)(F)F)C(=O)C1(N)CCCC1.
What is the InChIKey of 1-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
The InChIKey is QYIVTGXGELUGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-2-20-9-5-8-18(10-13(14,15)16)11(19)12(17)6-3-4-7-12/h2-10,17H2,1H3.
What are the key properties of 1-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
1-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 60946791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).