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

C15H21F3N2O3 — CID 47061688

IUPACN-[2-(3-methylbutoxy)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC(C)CCOCCNC(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C15H21F3N2O3/c1-11(2)5-8-23-9-6-19-13(21)10-20-7-3-4-12(14(20)22)15(16,17)18/h3-4,7,11H,5-6,8-10H2,1-2H3,(H,19,21)
InChIKeyPRUFLMKRSDBSBC-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.05
Rot. Bonds8

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

N-[2-(3-methylbutoxy)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 47061688) has the molecular formula C15H21F3N2O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is N-[2-(3-methylbutoxy)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-methylbutoxy)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID47061688
Molecular FormulaC15H21F3N2O3
Molecular Weight334.34 g/mol
Exact Mass334.15
IUPAC NameN-[2-(3-methylbutoxy)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC(C)CCOCCNC(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C15H21F3N2O3/c1-11(2)5-8-23-9-6-19-13(21)10-20-7-3-4-12(14(20)22)15(16,17)18/h3-4,7,11H,5-6,8-10H2,1-2H3,(H,19,21)
InChIKeyPRUFLMKRSDBSBC-UHFFFAOYSA-N
XLogP2.05
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylbutoxy)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[2-(3-methylbutoxy)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 47061688) is N-[2-(3-methylbutoxy)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[2-(3-methylbutoxy)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[2-(3-methylbutoxy)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is CC(C)CCOCCNC(=O)Cn1cccc(C(F)(F)F)c1=O.
What is the InChIKey of N-[2-(3-methylbutoxy)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is PRUFLMKRSDBSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O3/c1-11(2)5-8-23-9-6-19-13(21)10-20-7-3-4-12(14(20)22)15(16,17)18/h3-4,7,11H,5-6,8-10H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(3-methylbutoxy)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[2-(3-methylbutoxy)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 334.34 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylbutoxy)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 47061688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).