2,6-dimethyl-N-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide

C14H17F3N2O2 — CID 3846585

IUPAC2,6-dimethyl-N-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2cccc(C(F)(F)F)c2)CC(C)O1
InChIInChI=1S/C14H17F3N2O2/c1-9-7-19(8-10(2)21-9)13(20)18-12-5-3-4-11(6-12)14(15,16)17/h3-6,9-10H,7-8H2,1-2H3,(H,18,20)
InChIKeyATZVABJICXBYTC-UHFFFAOYSA-N
MW302.30 g/mol
LogP3.35
Rot. Bonds1

About 2,6-dimethyl-N-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide

2,6-dimethyl-N-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide (PubChem CID 3846585) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 2,6-dimethyl-N-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide
PubChem CID3846585
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name2,6-dimethyl-N-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2cccc(C(F)(F)F)c2)CC(C)O1
InChIInChI=1S/C14H17F3N2O2/c1-9-7-19(8-10(2)21-9)13(20)18-12-5-3-4-11(6-12)14(15,16)17/h3-6,9-10H,7-8H2,1-2H3,(H,18,20)
InChIKeyATZVABJICXBYTC-UHFFFAOYSA-N
XLogP3.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide (CID 3846585) is 2,6-dimethyl-N-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide is CC1CN(C(=O)Nc2cccc(C(F)(F)F)c2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-N-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide?
The InChIKey is ATZVABJICXBYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-9-7-19(8-10(2)21-9)13(20)18-12-5-3-4-11(6-12)14(15,16)17/h3-6,9-10H,7-8H2,1-2H3,(H,18,20).
What are the key properties of 2,6-dimethyl-N-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide?
2,6-dimethyl-N-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 3846585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).