N-methyl-N-[2-(methylamino)ethyl]morpholine-4-carboxamide;2,2,2-trifluoroacetic acid

C11H20F3N3O4 — CID 67765031

IUPACN-methyl-N-[2-(methylamino)ethyl]morpholine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCNCCN(C)C(=O)N1CCOCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H19N3O2.C2HF3O2/c1-10-3-4-11(2)9(13)12-5-7-14-8-6-12;3-2(4,5)1(6)7/h10H,3-8H2,1-2H3;(H,6,7)
InChIKeyYWRQIJRVUZKILM-UHFFFAOYSA-N
MW315.29 g/mol
LogP0.22
Rot. Bonds3

About N-methyl-N-[2-(methylamino)ethyl]morpholine-4-carboxamide;2,2,2-trifluoroacetic acid

N-methyl-N-[2-(methylamino)ethyl]morpholine-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 67765031) has the molecular formula C11H20F3N3O4 and a molecular weight of 315.29 g/mol. Its IUPAC name is N-methyl-N-[2-(methylamino)ethyl]morpholine-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-methyl-N-[2-(methylamino)ethyl]morpholine-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID67765031
Molecular FormulaC11H20F3N3O4
Molecular Weight315.29 g/mol
Exact Mass315.14
IUPAC NameN-methyl-N-[2-(methylamino)ethyl]morpholine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCNCCN(C)C(=O)N1CCOCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H19N3O2.C2HF3O2/c1-10-3-4-11(2)9(13)12-5-7-14-8-6-12;3-2(4,5)1(6)7/h10H,3-8H2,1-2H3;(H,6,7)
InChIKeyYWRQIJRVUZKILM-UHFFFAOYSA-N
XLogP0.22
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(methylamino)ethyl]morpholine-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-methyl-N-[2-(methylamino)ethyl]morpholine-4-carboxamide;2,2,2-trifluoroacetic acid (CID 67765031) is N-methyl-N-[2-(methylamino)ethyl]morpholine-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-methyl-N-[2-(methylamino)ethyl]morpholine-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-methyl-N-[2-(methylamino)ethyl]morpholine-4-carboxamide;2,2,2-trifluoroacetic acid is CNCCN(C)C(=O)N1CCOCC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-methyl-N-[2-(methylamino)ethyl]morpholine-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is YWRQIJRVUZKILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2.C2HF3O2/c1-10-3-4-11(2)9(13)12-5-7-14-8-6-12;3-2(4,5)1(6)7/h10H,3-8H2,1-2H3;(H,6,7).
What are the key properties of N-methyl-N-[2-(methylamino)ethyl]morpholine-4-carboxamide;2,2,2-trifluoroacetic acid?
N-methyl-N-[2-(methylamino)ethyl]morpholine-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 315.29 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(methylamino)ethyl]morpholine-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67765031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).