N-[2-(3-hydroxyoxiran-2-yl)-6-methoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide

C15H18F3NO4 — CID 162604762

IUPACN-[2-(3-hydroxyoxiran-2-yl)-6-methoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(C(F)(F)F)c(C2OC2O)c1NC(=O)C(C)(C)C
InChIInChI=1S/C15H18F3NO4/c1-14(2,3)13(21)19-10-8(22-4)6-5-7(15(16,17)18)9(10)11-12(20)23-11/h5-6,11-12,20H,1-4H3,(H,19,21)
InChIKeySYEGJPDZWIGVRI-UHFFFAOYSA-N
MW333.31 g/mol
LogP3.09
Rot. Bonds3

About N-[2-(3-hydroxyoxiran-2-yl)-6-methoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide

N-[2-(3-hydroxyoxiran-2-yl)-6-methoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide (PubChem CID 162604762) has the molecular formula C15H18F3NO4 and a molecular weight of 333.31 g/mol. Its IUPAC name is N-[2-(3-hydroxyoxiran-2-yl)-6-methoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyoxiran-2-yl)-6-methoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
PubChem CID162604762
Molecular FormulaC15H18F3NO4
Molecular Weight333.31 g/mol
Exact Mass333.12
IUPAC NameN-[2-(3-hydroxyoxiran-2-yl)-6-methoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(C(F)(F)F)c(C2OC2O)c1NC(=O)C(C)(C)C
InChIInChI=1S/C15H18F3NO4/c1-14(2,3)13(21)19-10-8(22-4)6-5-7(15(16,17)18)9(10)11-12(20)23-11/h5-6,11-12,20H,1-4H3,(H,19,21)
InChIKeySYEGJPDZWIGVRI-UHFFFAOYSA-N
XLogP3.09
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyoxiran-2-yl)-6-methoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(3-hydroxyoxiran-2-yl)-6-methoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide (CID 162604762) is N-[2-(3-hydroxyoxiran-2-yl)-6-methoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(3-hydroxyoxiran-2-yl)-6-methoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(3-hydroxyoxiran-2-yl)-6-methoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide is COc1ccc(C(F)(F)F)c(C2OC2O)c1NC(=O)C(C)(C)C.
What is the InChIKey of N-[2-(3-hydroxyoxiran-2-yl)-6-methoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
The InChIKey is SYEGJPDZWIGVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO4/c1-14(2,3)13(21)19-10-8(22-4)6-5-7(15(16,17)18)9(10)11-12(20)23-11/h5-6,11-12,20H,1-4H3,(H,19,21).
What are the key properties of N-[2-(3-hydroxyoxiran-2-yl)-6-methoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
N-[2-(3-hydroxyoxiran-2-yl)-6-methoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide has a molecular weight of 333.31 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxyoxiran-2-yl)-6-methoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 162604762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).