N,N-dimethyl-2-[[6-(oxan-4-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid

C21H35F3N2O6 — CID 155837182

IUPACN,N-dimethyl-2-[[6-(oxan-4-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)COCC12CCCOC1CCN(CC1CCOCC1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C19H34N2O4.C2HF3O2/c1-20(2)18(22)13-24-15-19-7-3-9-25-17(19)4-8-21(14-19)12-16-5-10-23-11-6-16;3-2(4,5)1(6)7/h16-17H,3-15H2,1-2H3;(H,6,7)
InChIKeyNBPAWDOXDTTYJX-UHFFFAOYSA-N
MW468.51 g/mol
LogP2.02
Rot. Bonds6

About N,N-dimethyl-2-[[6-(oxan-4-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid

N,N-dimethyl-2-[[6-(oxan-4-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 155837182) has the molecular formula C21H35F3N2O6 and a molecular weight of 468.51 g/mol. Its IUPAC name is N,N-dimethyl-2-[[6-(oxan-4-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-dimethyl-2-[[6-(oxan-4-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid
PubChem CID155837182
Molecular FormulaC21H35F3N2O6
Molecular Weight468.51 g/mol
Exact Mass468.24
IUPAC NameN,N-dimethyl-2-[[6-(oxan-4-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)COCC12CCCOC1CCN(CC1CCOCC1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C19H34N2O4.C2HF3O2/c1-20(2)18(22)13-24-15-19-7-3-9-25-17(19)4-8-21(14-19)12-16-5-10-23-11-6-16;3-2(4,5)1(6)7/h16-17H,3-15H2,1-2H3;(H,6,7)
InChIKeyNBPAWDOXDTTYJX-UHFFFAOYSA-N
XLogP2.02
TPSA88.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-2-[[6-(oxan-4-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[6-(oxan-4-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-dimethyl-2-[[6-(oxan-4-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid (CID 155837182) is N,N-dimethyl-2-[[6-(oxan-4-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-dimethyl-2-[[6-(oxan-4-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-dimethyl-2-[[6-(oxan-4-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid is CN(C)C(=O)COCC12CCCOC1CCN(CC1CCOCC1)C2.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-2-[[6-(oxan-4-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is NBPAWDOXDTTYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O4.C2HF3O2/c1-20(2)18(22)13-24-15-19-7-3-9-25-17(19)4-8-21(14-19)12-16-5-10-23-11-6-16;3-2(4,5)1(6)7/h16-17H,3-15H2,1-2H3;(H,6,7).
What are the key properties of N,N-dimethyl-2-[[6-(oxan-4-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid?
N,N-dimethyl-2-[[6-(oxan-4-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 468.51 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[6-(oxan-4-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155837182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).