2-methyl-N-[5-[(2,2,2-trifluoroacetyl)amino]pentyl]prop-2-enamide

C11H17F3N2O2 — CID 11780438

IUPAC2-methyl-N-[5-[(2,2,2-trifluoroacetyl)amino]pentyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C11H17F3N2O2/c1-8(2)9(17)15-6-4-3-5-7-16-10(18)11(12,13)14/h1,3-7H2,2H3,(H,15,17)(H,16,18)
InChIKeyVLJGYIRFUMETOL-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.53
Rot. Bonds7

About 2-methyl-N-[5-[(2,2,2-trifluoroacetyl)amino]pentyl]prop-2-enamide

2-methyl-N-[5-[(2,2,2-trifluoroacetyl)amino]pentyl]prop-2-enamide (PubChem CID 11780438) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-methyl-N-[5-[(2,2,2-trifluoroacetyl)amino]pentyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[5-[(2,2,2-trifluoroacetyl)amino]pentyl]prop-2-enamide
PubChem CID11780438
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC Name2-methyl-N-[5-[(2,2,2-trifluoroacetyl)amino]pentyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C11H17F3N2O2/c1-8(2)9(17)15-6-4-3-5-7-16-10(18)11(12,13)14/h1,3-7H2,2H3,(H,15,17)(H,16,18)
InChIKeyVLJGYIRFUMETOL-UHFFFAOYSA-N
XLogP1.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[5-[(2,2,2-trifluoroacetyl)amino]pentyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-[(2,2,2-trifluoroacetyl)amino]pentyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[5-[(2,2,2-trifluoroacetyl)amino]pentyl]prop-2-enamide (CID 11780438) is 2-methyl-N-[5-[(2,2,2-trifluoroacetyl)amino]pentyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[5-[(2,2,2-trifluoroacetyl)amino]pentyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[5-[(2,2,2-trifluoroacetyl)amino]pentyl]prop-2-enamide is C=C(C)C(=O)NCCCCCNC(=O)C(F)(F)F.
What is the InChIKey of 2-methyl-N-[5-[(2,2,2-trifluoroacetyl)amino]pentyl]prop-2-enamide?
The InChIKey is VLJGYIRFUMETOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c1-8(2)9(17)15-6-4-3-5-7-16-10(18)11(12,13)14/h1,3-7H2,2H3,(H,15,17)(H,16,18).
What are the key properties of 2-methyl-N-[5-[(2,2,2-trifluoroacetyl)amino]pentyl]prop-2-enamide?
2-methyl-N-[5-[(2,2,2-trifluoroacetyl)amino]pentyl]prop-2-enamide has a molecular weight of 266.26 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-[(2,2,2-trifluoroacetyl)amino]pentyl]prop-2-enamide is sourced from PubChem (CID 11780438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).