N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(trifluoromethoxy)benzamide

C20H23F3N2O3 — CID 121413958

IUPACN-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(trifluoromethoxy)benzamide
SMILESCCN(CCc1ccc(C(C)(C)O)cn1)C(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C20H23F3N2O3/c1-4-25(12-11-15-10-9-14(13-24-15)19(2,3)27)18(26)16-7-5-6-8-17(16)28-20(21,22)23/h5-10,13,27H,4,11-12H2,1-3H3
InChIKeyIXPXZLGEGUDEQP-UHFFFAOYSA-N
MW396.41 g/mol
LogP3.91
Rot. Bonds7

About N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(trifluoromethoxy)benzamide

N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(trifluoromethoxy)benzamide (PubChem CID 121413958) has the molecular formula C20H23F3N2O3 and a molecular weight of 396.41 g/mol. Its IUPAC name is N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(trifluoromethoxy)benzamide
PubChem CID121413958
Molecular FormulaC20H23F3N2O3
Molecular Weight396.41 g/mol
Exact Mass396.17
IUPAC NameN-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(trifluoromethoxy)benzamide
SMILESCCN(CCc1ccc(C(C)(C)O)cn1)C(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C20H23F3N2O3/c1-4-25(12-11-15-10-9-14(13-24-15)19(2,3)27)18(26)16-7-5-6-8-17(16)28-20(21,22)23/h5-10,13,27H,4,11-12H2,1-3H3
InChIKeyIXPXZLGEGUDEQP-UHFFFAOYSA-N
XLogP3.91
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(trifluoromethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(trifluoromethoxy)benzamide?
The IUPAC name of N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(trifluoromethoxy)benzamide (CID 121413958) is N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(trifluoromethoxy)benzamide?
The canonical SMILES for N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(trifluoromethoxy)benzamide is CCN(CCc1ccc(C(C)(C)O)cn1)C(=O)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(trifluoromethoxy)benzamide?
The InChIKey is IXPXZLGEGUDEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O3/c1-4-25(12-11-15-10-9-14(13-24-15)19(2,3)27)18(26)16-7-5-6-8-17(16)28-20(21,22)23/h5-10,13,27H,4,11-12H2,1-3H3.
What are the key properties of N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(trifluoromethoxy)benzamide?
N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(trifluoromethoxy)benzamide has a molecular weight of 396.41 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 121413958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).