N-methyl-N-(oxan-2-ylmethyl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid

C13H21F3N2O4 — CID 146314251

IUPACN-methyl-N-(oxan-2-ylmethyl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(CC1CCCCO1)C(=O)C1CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H20N2O2.C2HF3O2/c1-13(11(14)9-6-12-7-9)8-10-4-2-3-5-15-10;3-2(4,5)1(6)7/h9-10,12H,2-8H2,1H3;(H,6,7)
InChIKeyUKSAYNPXGGPYEK-UHFFFAOYSA-N
MW326.32 g/mol
LogP0.87
Rot. Bonds3

About N-methyl-N-(oxan-2-ylmethyl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid

N-methyl-N-(oxan-2-ylmethyl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 146314251) has the molecular formula C13H21F3N2O4 and a molecular weight of 326.32 g/mol. Its IUPAC name is N-methyl-N-(oxan-2-ylmethyl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-methyl-N-(oxan-2-ylmethyl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID146314251
Molecular FormulaC13H21F3N2O4
Molecular Weight326.32 g/mol
Exact Mass326.15
IUPAC NameN-methyl-N-(oxan-2-ylmethyl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(CC1CCCCO1)C(=O)C1CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H20N2O2.C2HF3O2/c1-13(11(14)9-6-12-7-9)8-10-4-2-3-5-15-10;3-2(4,5)1(6)7/h9-10,12H,2-8H2,1H3;(H,6,7)
InChIKeyUKSAYNPXGGPYEK-UHFFFAOYSA-N
XLogP0.87
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-2-ylmethyl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-methyl-N-(oxan-2-ylmethyl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 146314251) is N-methyl-N-(oxan-2-ylmethyl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-methyl-N-(oxan-2-ylmethyl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-methyl-N-(oxan-2-ylmethyl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid is CN(CC1CCCCO1)C(=O)C1CNC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-methyl-N-(oxan-2-ylmethyl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is UKSAYNPXGGPYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2.C2HF3O2/c1-13(11(14)9-6-12-7-9)8-10-4-2-3-5-15-10;3-2(4,5)1(6)7/h9-10,12H,2-8H2,1H3;(H,6,7).
What are the key properties of N-methyl-N-(oxan-2-ylmethyl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid?
N-methyl-N-(oxan-2-ylmethyl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 326.32 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-2-ylmethyl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146314251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).