N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]but-2-enamide

C14H24F3N3O — CID 126798207

IUPACN-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]but-2-enamide
SMILESCN(CC=CC(=O)N(C)CCN(C)C1CC1)CC(F)(F)F
InChIInChI=1S/C14H24F3N3O/c1-18(11-14(15,16)17)8-4-5-13(21)20(3)10-9-19(2)12-6-7-12/h4-5,12H,6-11H2,1-3H3
InChIKeyMFTIKWDIQCYPEU-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.59
Rot. Bonds8

About N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]but-2-enamide

N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]but-2-enamide (PubChem CID 126798207) has the molecular formula C14H24F3N3O and a molecular weight of 307.36 g/mol. Its IUPAC name is N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]but-2-enamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]but-2-enamide
PubChem CID126798207
Molecular FormulaC14H24F3N3O
Molecular Weight307.36 g/mol
Exact Mass307.19
IUPAC NameN-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]but-2-enamide
SMILESCN(CC=CC(=O)N(C)CCN(C)C1CC1)CC(F)(F)F
InChIInChI=1S/C14H24F3N3O/c1-18(11-14(15,16)17)8-4-5-13(21)20(3)10-9-19(2)12-6-7-12/h4-5,12H,6-11H2,1-3H3
InChIKeyMFTIKWDIQCYPEU-UHFFFAOYSA-N
XLogP1.59
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]but-2-enamide?
The IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]but-2-enamide (CID 126798207) is N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]but-2-enamide.
What is the SMILES notation for N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]but-2-enamide?
The canonical SMILES for N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]but-2-enamide is CN(CC=CC(=O)N(C)CCN(C)C1CC1)CC(F)(F)F.
What is the InChIKey of N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]but-2-enamide?
The InChIKey is MFTIKWDIQCYPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O/c1-18(11-14(15,16)17)8-4-5-13(21)20(3)10-9-19(2)12-6-7-12/h4-5,12H,6-11H2,1-3H3.
What are the key properties of N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]but-2-enamide?
N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]but-2-enamide has a molecular weight of 307.36 g/mol, XLogP of 1.59, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]but-2-enamide is sourced from PubChem (CID 126798207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).