N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-(prop-2-enylamino)acetamide

C10H16F3N3O2 — CID 79277930

IUPACN-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)N(C)CC(=O)NCC(F)(F)F
InChIInChI=1S/C10H16F3N3O2/c1-3-4-14-5-9(18)16(2)6-8(17)15-7-10(11,12)13/h3,14H,1,4-7H2,2H3,(H,15,17)
InChIKeyWFNXJFQIPYCEFI-UHFFFAOYSA-N
MW267.25 g/mol
LogP-0.10
Rot. Bonds7

About N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-(prop-2-enylamino)acetamide

N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-(prop-2-enylamino)acetamide (PubChem CID 79277930) has the molecular formula C10H16F3N3O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-(prop-2-enylamino)acetamide
PubChem CID79277930
Molecular FormulaC10H16F3N3O2
Molecular Weight267.25 g/mol
Exact Mass267.12
IUPAC NameN-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)N(C)CC(=O)NCC(F)(F)F
InChIInChI=1S/C10H16F3N3O2/c1-3-4-14-5-9(18)16(2)6-8(17)15-7-10(11,12)13/h3,14H,1,4-7H2,2H3,(H,15,17)
InChIKeyWFNXJFQIPYCEFI-UHFFFAOYSA-N
XLogP-0.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
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 N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-(prop-2-enylamino)acetamide (CID 79277930) is N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)N(C)CC(=O)NCC(F)(F)F.
What is the InChIKey of N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-(prop-2-enylamino)acetamide?
The InChIKey is WFNXJFQIPYCEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2/c1-3-4-14-5-9(18)16(2)6-8(17)15-7-10(11,12)13/h3,14H,1,4-7H2,2H3,(H,15,17).
What are the key properties of N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-(prop-2-enylamino)acetamide?
N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-(prop-2-enylamino)acetamide has a molecular weight of 267.25 g/mol, XLogP of -0.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 79277930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).