N-methyl-N-[2-oxo-2-(1,1,1-trifluorobutan-2-ylamino)ethyl]prop-2-enamide

C10H15F3N2O2 — CID 154793372

IUPACN-methyl-N-[2-oxo-2-(1,1,1-trifluorobutan-2-ylamino)ethyl]prop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)NC(CC)C(F)(F)F
InChIInChI=1S/C10H15F3N2O2/c1-4-7(10(11,12)13)14-8(16)6-15(3)9(17)5-2/h5,7H,2,4,6H2,1,3H3,(H,14,16)
InChIKeyYDVKGEMQXRBOGU-UHFFFAOYSA-N
MW252.24 g/mol
LogP1.09
Rot. Bonds5

About N-methyl-N-[2-oxo-2-(1,1,1-trifluorobutan-2-ylamino)ethyl]prop-2-enamide

N-methyl-N-[2-oxo-2-(1,1,1-trifluorobutan-2-ylamino)ethyl]prop-2-enamide (PubChem CID 154793372) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-(1,1,1-trifluorobutan-2-ylamino)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-(1,1,1-trifluorobutan-2-ylamino)ethyl]prop-2-enamide
PubChem CID154793372
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC NameN-methyl-N-[2-oxo-2-(1,1,1-trifluorobutan-2-ylamino)ethyl]prop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)NC(CC)C(F)(F)F
InChIInChI=1S/C10H15F3N2O2/c1-4-7(10(11,12)13)14-8(16)6-15(3)9(17)5-2/h5,7H,2,4,6H2,1,3H3,(H,14,16)
InChIKeyYDVKGEMQXRBOGU-UHFFFAOYSA-N
XLogP1.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-(1,1,1-trifluorobutan-2-ylamino)ethyl]prop-2-enamide?
The IUPAC name of N-methyl-N-[2-oxo-2-(1,1,1-trifluorobutan-2-ylamino)ethyl]prop-2-enamide (CID 154793372) is N-methyl-N-[2-oxo-2-(1,1,1-trifluorobutan-2-ylamino)ethyl]prop-2-enamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-(1,1,1-trifluorobutan-2-ylamino)ethyl]prop-2-enamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-(1,1,1-trifluorobutan-2-ylamino)ethyl]prop-2-enamide is C=CC(=O)N(C)CC(=O)NC(CC)C(F)(F)F.
What is the InChIKey of N-methyl-N-[2-oxo-2-(1,1,1-trifluorobutan-2-ylamino)ethyl]prop-2-enamide?
The InChIKey is YDVKGEMQXRBOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2/c1-4-7(10(11,12)13)14-8(16)6-15(3)9(17)5-2/h5,7H,2,4,6H2,1,3H3,(H,14,16).
What are the key properties of N-methyl-N-[2-oxo-2-(1,1,1-trifluorobutan-2-ylamino)ethyl]prop-2-enamide?
N-methyl-N-[2-oxo-2-(1,1,1-trifluorobutan-2-ylamino)ethyl]prop-2-enamide has a molecular weight of 252.24 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-(1,1,1-trifluorobutan-2-ylamino)ethyl]prop-2-enamide is sourced from PubChem (CID 154793372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).