N-(1-cyclopropylethyl)-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide

C12H19F3N2O — CID 78914472

IUPACN-(1-cyclopropylethyl)-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESC=CCNCC(=O)N(CC(F)(F)F)C(C)C1CC1
InChIInChI=1S/C12H19F3N2O/c1-3-6-16-7-11(18)17(8-12(13,14)15)9(2)10-4-5-10/h3,9-10,16H,1,4-8H2,2H3
InChIKeyKDFLRTLZHCHXNG-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.95
Rot. Bonds7

About N-(1-cyclopropylethyl)-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide

N-(1-cyclopropylethyl)-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 78914472) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID78914472
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC NameN-(1-cyclopropylethyl)-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESC=CCNCC(=O)N(CC(F)(F)F)C(C)C1CC1
InChIInChI=1S/C12H19F3N2O/c1-3-6-16-7-11(18)17(8-12(13,14)15)9(2)10-4-5-10/h3,9-10,16H,1,4-8H2,2H3
InChIKeyKDFLRTLZHCHXNG-UHFFFAOYSA-N
XLogP1.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-(1-cyclopropylethyl)-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(1-cyclopropylethyl)-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 78914472) is N-(1-cyclopropylethyl)-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(1-cyclopropylethyl)-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide is C=CCNCC(=O)N(CC(F)(F)F)C(C)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is KDFLRTLZHCHXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c1-3-6-16-7-11(18)17(8-12(13,14)15)9(2)10-4-5-10/h3,9-10,16H,1,4-8H2,2H3.
What are the key properties of N-(1-cyclopropylethyl)-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide?
N-(1-cyclopropylethyl)-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 264.29 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 78914472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).