4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide

C13H21F3N2O2 — CID 79211046

IUPAC4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)C1C=CC(N)C1
InChIInChI=1S/C13H21F3N2O2/c1-2-20-7-3-6-18(9-13(14,15)16)12(19)10-4-5-11(17)8-10/h4-5,10-11H,2-3,6-9,17H2,1H3
InChIKeyFQWHCWXTARCNHE-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.71
Rot. Bonds7

About 4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide

4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide (PubChem CID 79211046) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is 4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
PubChem CID79211046
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Name4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)C1C=CC(N)C1
InChIInChI=1S/C13H21F3N2O2/c1-2-20-7-3-6-18(9-13(14,15)16)12(19)10-4-5-11(17)8-10/h4-5,10-11H,2-3,6-9,17H2,1H3
InChIKeyFQWHCWXTARCNHE-UHFFFAOYSA-N
XLogP1.71
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(3,3,3-trifluoropropyl)cyclopent-2-ene-1-carboxamide
CID 79207052
4-amino-N-methyl-N-(3,3,3-trifluoropropyl)cyclopent-2-ene-1-carboxamide
CID 79207067
(4-Aminocyclopent-2-en-1-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 79207068
4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
CID 79207112
4-amino-N-ethyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
CID 79208280
4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopent-2-ene-1-carboxamide
CID 79208300
4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
CID 79208374
4-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
CID 79210324
4-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
CID 79210325
Methyl 3-[(4-aminocyclopent-2-ene-1-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate
CID 79210406
4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopent-2-ene-1-carboxamide
CID 79210485
(4-Aminocyclopent-2-en-1-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 79210873

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide (CID 79211046) is 4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide is CCOCCCN(CC(F)(F)F)C(=O)C1C=CC(N)C1.
What is the InChIKey of 4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is FQWHCWXTARCNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c1-2-20-7-3-6-18(9-13(14,15)16)12(19)10-4-5-11(17)8-10/h4-5,10-11H,2-3,6-9,17H2,1H3.
What are the key properties of 4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 294.32 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79211046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).