N-ethyl-N-(2-methylprop-2-enyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

C14H17F3N2O2 — CID 86919870

IUPACN-ethyl-N-(2-methylprop-2-enyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESC=C(C)CN(CC)C(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C14H17F3N2O2/c1-4-18(8-10(2)3)12(20)9-19-7-5-6-11(13(19)21)14(15,16)17/h5-7H,2,4,8-9H2,1,3H3
InChIKeyPMEVHFMDJYAKLD-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.29
Rot. Bonds5

About N-ethyl-N-(2-methylprop-2-enyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

N-ethyl-N-(2-methylprop-2-enyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 86919870) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is N-ethyl-N-(2-methylprop-2-enyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylprop-2-enyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID86919870
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC NameN-ethyl-N-(2-methylprop-2-enyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESC=C(C)CN(CC)C(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C14H17F3N2O2/c1-4-18(8-10(2)3)12(20)9-19-7-5-6-11(13(19)21)14(15,16)17/h5-7H,2,4,8-9H2,1,3H3
InChIKeyPMEVHFMDJYAKLD-UHFFFAOYSA-N
XLogP2.29
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 86919870) is N-ethyl-N-(2-methylprop-2-enyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-ethyl-N-(2-methylprop-2-enyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-ethyl-N-(2-methylprop-2-enyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is C=C(C)CN(CC)C(=O)Cn1cccc(C(F)(F)F)c1=O.
What is the InChIKey of N-ethyl-N-(2-methylprop-2-enyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is PMEVHFMDJYAKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-4-18(8-10(2)3)12(20)9-19-7-5-6-11(13(19)21)14(15,16)17/h5-7H,2,4,8-9H2,1,3H3.
What are the key properties of N-ethyl-N-(2-methylprop-2-enyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-ethyl-N-(2-methylprop-2-enyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 302.30 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylprop-2-enyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 86919870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).