2,2-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide

C16H21F3N2O2 — CID 961068

IUPAC2,2-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C16H21F3N2O2/c1-15(2,3)14(22)20-12-10-11(16(17,18)19)4-5-13(12)21-6-8-23-9-7-21/h4-5,10H,6-9H2,1-3H3,(H,20,22)
InChIKeyBVTYMDSIVKFBQW-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.53
Rot. Bonds2

About 2,2-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide

2,2-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide (PubChem CID 961068) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
PubChem CID961068
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name2,2-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C16H21F3N2O2/c1-15(2,3)14(22)20-12-10-11(16(17,18)19)4-5-13(12)21-6-8-23-9-7-21/h4-5,10H,6-9H2,1-3H3,(H,20,22)
InChIKeyBVTYMDSIVKFBQW-UHFFFAOYSA-N
XLogP3.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide (CID 961068) is 2,2-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide is CC(C)(C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of 2,2-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide?
The InChIKey is BVTYMDSIVKFBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-15(2,3)14(22)20-12-10-11(16(17,18)19)4-5-13(12)21-6-8-23-9-7-21/h4-5,10H,6-9H2,1-3H3,(H,20,22).
What are the key properties of 2,2-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide?
2,2-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide has a molecular weight of 330.35 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 961068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).