N-methyl-N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide

C10H17F3N2O2 — CID 78958471

IUPACN-methyl-N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCN(CC1CCCO1)C(=O)CNCC(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-15(6-8-3-2-4-17-8)9(16)5-14-7-10(11,12)13/h8,14H,2-7H2,1H3
InChIKeyHIKKGYJHUWAOPS-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.78
Rot. Bonds5

About N-methyl-N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-methyl-N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78958471) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-methyl-N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-methyl-N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78958471
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC NameN-methyl-N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCN(CC1CCCO1)C(=O)CNCC(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-15(6-8-3-2-4-17-8)9(16)5-14-7-10(11,12)13/h8,14H,2-7H2,1H3
InChIKeyHIKKGYJHUWAOPS-UHFFFAOYSA-N
XLogP0.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-methyl-N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78958471) is N-methyl-N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-methyl-N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-methyl-N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide is CN(CC1CCCO1)C(=O)CNCC(F)(F)F.
What is the InChIKey of N-methyl-N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is HIKKGYJHUWAOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-15(6-8-3-2-4-17-8)9(16)5-14-7-10(11,12)13/h8,14H,2-7H2,1H3.
What are the key properties of N-methyl-N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-methyl-N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 254.25 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78958471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).