2-(2-methoxyethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride

C10H18ClF3N2O2 — CID 119748923

IUPAC2-(2-methoxyethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
SMILESC=CCN(CC(F)(F)F)C(=O)CNCCOC.Cl
InChIInChI=1S/C10H17F3N2O2.ClH/c1-3-5-15(8-10(11,12)13)9(16)7-14-4-6-17-2;/h3,14H,1,4-8H2,2H3;1H
InChIKeyWDGRDTQEYTTWQT-UHFFFAOYSA-N
MW290.71 g/mol
LogP1.22
Rot. Bonds8

About 2-(2-methoxyethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride

2-(2-methoxyethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride (PubChem CID 119748923) has the molecular formula C10H18ClF3N2O2 and a molecular weight of 290.71 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
PubChem CID119748923
Molecular FormulaC10H18ClF3N2O2
Molecular Weight290.71 g/mol
Exact Mass290.10
IUPAC Name2-(2-methoxyethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
SMILESC=CCN(CC(F)(F)F)C(=O)CNCCOC.Cl
InChIInChI=1S/C10H17F3N2O2.ClH/c1-3-5-15(8-10(11,12)13)9(16)7-14-4-6-17-2;/h3,14H,1,4-8H2,2H3;1H
InChIKeyWDGRDTQEYTTWQT-UHFFFAOYSA-N
XLogP1.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 51.22
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride?
The IUPAC name of 2-(2-methoxyethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride (CID 119748923) is 2-(2-methoxyethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(2-methoxyethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride is C=CCN(CC(F)(F)F)C(=O)CNCCOC.Cl.
What is the InChIKey of 2-(2-methoxyethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride?
The InChIKey is WDGRDTQEYTTWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2.ClH/c1-3-5-15(8-10(11,12)13)9(16)7-14-4-6-17-2;/h3,14H,1,4-8H2,2H3;1H.
What are the key properties of 2-(2-methoxyethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride?
2-(2-methoxyethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride has a molecular weight of 290.71 g/mol, XLogP of 1.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride is sourced from PubChem (CID 119748923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).