4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide

C12H18F3N3O2 — CID 79211204

IUPAC4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)C1C=CC(N)C1
InChIInChI=1S/C12H18F3N3O2/c1-17(2)10(19)6-18(7-12(13,14)15)11(20)8-3-4-9(16)5-8/h3-4,8-9H,5-7,16H2,1-2H3
InChIKeyRQRTXUCRRCKFLA-UHFFFAOYSA-N
MW293.29 g/mol
LogP0.37
Rot. Bonds4

About 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide

4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide (PubChem CID 79211204) has the molecular formula C12H18F3N3O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
PubChem CID79211204
Molecular FormulaC12H18F3N3O2
Molecular Weight293.29 g/mol
Exact Mass293.14
IUPAC Name4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)C1C=CC(N)C1
InChIInChI=1S/C12H18F3N3O2/c1-17(2)10(19)6-18(7-12(13,14)15)11(20)8-3-4-9(16)5-8/h3-4,8-9H,5-7,16H2,1-2H3
InChIKeyRQRTXUCRRCKFLA-UHFFFAOYSA-N
XLogP0.37
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide (CID 79211204) is 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide is CN(C)C(=O)CN(CC(F)(F)F)C(=O)C1C=CC(N)C1.
What is the InChIKey of 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is RQRTXUCRRCKFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2/c1-17(2)10(19)6-18(7-12(13,14)15)11(20)8-3-4-9(16)5-8/h3-4,8-9H,5-7,16H2,1-2H3.
What are the key properties of 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 293.29 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79211204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).