N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(trifluoromethoxy)benzamide

C20H25F3N4O3 — CID 121416864

IUPACN-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(trifluoromethoxy)benzamide
SMILESCCN(CCN(C)c1nccc(C(C)(C)O)n1)C(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C20H25F3N4O3/c1-5-27(17(28)14-8-6-7-9-15(14)30-20(21,22)23)13-12-26(4)18-24-11-10-16(25-18)19(2,3)29/h6-11,29H,5,12-13H2,1-4H3
InChIKeyCQPDKUSLEHJDGW-UHFFFAOYSA-N
MW426.44 g/mol
LogP3.20
Rot. Bonds8

About N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(trifluoromethoxy)benzamide

N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(trifluoromethoxy)benzamide (PubChem CID 121416864) has the molecular formula C20H25F3N4O3 and a molecular weight of 426.44 g/mol. Its IUPAC name is N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(trifluoromethoxy)benzamide
PubChem CID121416864
Molecular FormulaC20H25F3N4O3
Molecular Weight426.44 g/mol
Exact Mass426.19
IUPAC NameN-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(trifluoromethoxy)benzamide
SMILESCCN(CCN(C)c1nccc(C(C)(C)O)n1)C(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C20H25F3N4O3/c1-5-27(17(28)14-8-6-7-9-15(14)30-20(21,22)23)13-12-26(4)18-24-11-10-16(25-18)19(2,3)29/h6-11,29H,5,12-13H2,1-4H3
InChIKeyCQPDKUSLEHJDGW-UHFFFAOYSA-N
XLogP3.20
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(trifluoromethoxy)benzamide?
The IUPAC name of N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(trifluoromethoxy)benzamide (CID 121416864) is N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(trifluoromethoxy)benzamide?
The canonical SMILES for N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(trifluoromethoxy)benzamide is CCN(CCN(C)c1nccc(C(C)(C)O)n1)C(=O)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(trifluoromethoxy)benzamide?
The InChIKey is CQPDKUSLEHJDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O3/c1-5-27(17(28)14-8-6-7-9-15(14)30-20(21,22)23)13-12-26(4)18-24-11-10-16(25-18)19(2,3)29/h6-11,29H,5,12-13H2,1-4H3.
What are the key properties of N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(trifluoromethoxy)benzamide?
N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(trifluoromethoxy)benzamide has a molecular weight of 426.44 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 121416864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).