2,2,6-trimethyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]morpholine-4-carboxamide

C17H23F3N2O2 — CID 48634937

IUPAC2,2,6-trimethyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]morpholine-4-carboxamide
SMILESCC1CN(C(=O)NCCc2ccccc2C(F)(F)F)CC(C)(C)O1
InChIInChI=1S/C17H23F3N2O2/c1-12-10-22(11-16(2,3)24-12)15(23)21-9-8-13-6-4-5-7-14(13)17(18,19)20/h4-7,12H,8-11H2,1-3H3,(H,21,23)
InChIKeyRGZSXJNHUOSYCE-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.46
Rot. Bonds3

About 2,2,6-trimethyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]morpholine-4-carboxamide

2,2,6-trimethyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]morpholine-4-carboxamide (PubChem CID 48634937) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is 2,2,6-trimethyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2,2,6-trimethyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]morpholine-4-carboxamide
PubChem CID48634937
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC Name2,2,6-trimethyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]morpholine-4-carboxamide
SMILESCC1CN(C(=O)NCCc2ccccc2C(F)(F)F)CC(C)(C)O1
InChIInChI=1S/C17H23F3N2O2/c1-12-10-22(11-16(2,3)24-12)15(23)21-9-8-13-6-4-5-7-14(13)17(18,19)20/h4-7,12H,8-11H2,1-3H3,(H,21,23)
InChIKeyRGZSXJNHUOSYCE-UHFFFAOYSA-N
XLogP3.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]morpholine-4-carboxamide?
The IUPAC name of 2,2,6-trimethyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]morpholine-4-carboxamide (CID 48634937) is 2,2,6-trimethyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]morpholine-4-carboxamide.
What is the SMILES notation for 2,2,6-trimethyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]morpholine-4-carboxamide?
The canonical SMILES for 2,2,6-trimethyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]morpholine-4-carboxamide is CC1CN(C(=O)NCCc2ccccc2C(F)(F)F)CC(C)(C)O1.
What is the InChIKey of 2,2,6-trimethyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]morpholine-4-carboxamide?
The InChIKey is RGZSXJNHUOSYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-12-10-22(11-16(2,3)24-12)15(23)21-9-8-13-6-4-5-7-14(13)17(18,19)20/h4-7,12H,8-11H2,1-3H3,(H,21,23).
What are the key properties of 2,2,6-trimethyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]morpholine-4-carboxamide?
2,2,6-trimethyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]morpholine-4-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 48634937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).