[(2R)-4-[(4-hydroxyoxan-4-yl)methyl]-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone

C16H28N2O5 — CID 124998464

IUPAC[(2R)-4-[(4-hydroxyoxan-4-yl)methyl]-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone
SMILESC[C@]1(C(=O)N2CCOCC2)CN(CC2(O)CCOCC2)CCO1
InChIInChI=1S/C16H28N2O5/c1-15(14(19)18-5-9-22-10-6-18)12-17(4-11-23-15)13-16(20)2-7-21-8-3-16/h20H,2-13H2,1H3/t15-/m1/s1
InChIKeyRHWDGSXFPJDMNZ-OAHLLOKOSA-N
MW328.41 g/mol
LogP-0.52
Rot. Bonds3

About [(2R)-4-[(4-hydroxyoxan-4-yl)methyl]-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone

[(2R)-4-[(4-hydroxyoxan-4-yl)methyl]-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone (PubChem CID 124998464) has the molecular formula C16H28N2O5 and a molecular weight of 328.41 g/mol. Its IUPAC name is [(2R)-4-[(4-hydroxyoxan-4-yl)methyl]-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2R)-4-[(4-hydroxyoxan-4-yl)methyl]-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone
PubChem CID124998464
Molecular FormulaC16H28N2O5
Molecular Weight328.41 g/mol
Exact Mass328.20
IUPAC Name[(2R)-4-[(4-hydroxyoxan-4-yl)methyl]-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone
SMILESC[C@]1(C(=O)N2CCOCC2)CN(CC2(O)CCOCC2)CCO1
InChIInChI=1S/C16H28N2O5/c1-15(14(19)18-5-9-22-10-6-18)12-17(4-11-23-15)13-16(20)2-7-21-8-3-16/h20H,2-13H2,1H3/t15-/m1/s1
InChIKeyRHWDGSXFPJDMNZ-OAHLLOKOSA-N
XLogP-0.52
TPSA71.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2R)-4-[(4-hydroxyoxan-4-yl)methyl]-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2R)-4-[(4-hydroxyoxan-4-yl)methyl]-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone (CID 124998464) is [(2R)-4-[(4-hydroxyoxan-4-yl)methyl]-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2R)-4-[(4-hydroxyoxan-4-yl)methyl]-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2R)-4-[(4-hydroxyoxan-4-yl)methyl]-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone is C[C@]1(C(=O)N2CCOCC2)CN(CC2(O)CCOCC2)CCO1.
What is the InChIKey of [(2R)-4-[(4-hydroxyoxan-4-yl)methyl]-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is RHWDGSXFPJDMNZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H28N2O5/c1-15(14(19)18-5-9-22-10-6-18)12-17(4-11-23-15)13-16(20)2-7-21-8-3-16/h20H,2-13H2,1H3/t15-/m1/s1.
What are the key properties of [(2R)-4-[(4-hydroxyoxan-4-yl)methyl]-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone?
[(2R)-4-[(4-hydroxyoxan-4-yl)methyl]-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 328.41 g/mol, XLogP of -0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-[(4-hydroxyoxan-4-yl)methyl]-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 124998464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).