N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide

C14H28F3N3O — CID 78942306

IUPACN-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCN(CC)CCN(CC(C)C)C(=O)CNCC(F)(F)F
InChIInChI=1S/C14H28F3N3O/c1-5-19(6-2)7-8-20(10-12(3)4)13(21)9-18-11-14(15,16)17/h12,18H,5-11H2,1-4H3
InChIKeyKLYFICXJTAQXQN-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.96
Rot. Bonds10

About N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78942306) has the molecular formula C14H28F3N3O and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78942306
Molecular FormulaC14H28F3N3O
Molecular Weight311.39 g/mol
Exact Mass311.22
IUPAC NameN-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCN(CC)CCN(CC(C)C)C(=O)CNCC(F)(F)F
InChIInChI=1S/C14H28F3N3O/c1-5-19(6-2)7-8-20(10-12(3)4)13(21)9-18-11-14(15,16)17/h12,18H,5-11H2,1-4H3
InChIKeyKLYFICXJTAQXQN-UHFFFAOYSA-N
XLogP1.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78942306) is N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide is CCN(CC)CCN(CC(C)C)C(=O)CNCC(F)(F)F.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is KLYFICXJTAQXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F3N3O/c1-5-19(6-2)7-8-20(10-12(3)4)13(21)9-18-11-14(15,16)17/h12,18H,5-11H2,1-4H3.
What are the key properties of N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 311.39 g/mol, XLogP of 1.96, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78942306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).