2-morpholin-2-yl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide

C13H23F3N2O2 — CID 66427436

IUPAC2-morpholin-2-yl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)CC1CNCCO1
InChIInChI=1S/C13H23F3N2O2/c1-3-10(4-2)18(9-13(14,15)16)12(19)7-11-8-17-5-6-20-11/h10-11,17H,3-9H2,1-2H3
InChIKeySYHOMILYTYHXDT-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.94
Rot. Bonds6

About 2-morpholin-2-yl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide

2-morpholin-2-yl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 66427436) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-morpholin-2-yl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-morpholin-2-yl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID66427436
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name2-morpholin-2-yl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)CC1CNCCO1
InChIInChI=1S/C13H23F3N2O2/c1-3-10(4-2)18(9-13(14,15)16)12(19)7-11-8-17-5-6-20-11/h10-11,17H,3-9H2,1-2H3
InChIKeySYHOMILYTYHXDT-UHFFFAOYSA-N
XLogP1.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-2-yl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-morpholin-2-yl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide (CID 66427436) is 2-morpholin-2-yl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-morpholin-2-yl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-morpholin-2-yl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide is CCC(CC)N(CC(F)(F)F)C(=O)CC1CNCCO1.
What is the InChIKey of 2-morpholin-2-yl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is SYHOMILYTYHXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-3-10(4-2)18(9-13(14,15)16)12(19)7-11-8-17-5-6-20-11/h10-11,17H,3-9H2,1-2H3.
What are the key properties of 2-morpholin-2-yl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
2-morpholin-2-yl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 296.33 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-2-yl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 66427436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).