N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide

C19H26N2O6 — CID 71693715

IUPACN-[4-[(2R,3R)-3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc([C@H]2OCC(=O)N(C3CCOCC3)[C@@H]2CO)cc1
InChIInChI=1S/C19H26N2O6/c1-25-11-17(23)20-14-4-2-13(3-5-14)19-16(10-22)21(18(24)12-27-19)15-6-8-26-9-7-15/h2-5,15-16,19,22H,6-12H2,1H3,(H,20,23)/t16-,19-/m1/s1
InChIKeyBBFHFNGSAUEOSO-VQIMIIECSA-N
MW378.43 g/mol
LogP0.71
Rot. Bonds6

About N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide

N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide (PubChem CID 71693715) has the molecular formula C19H26N2O6 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-[(2R,3R)-3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide
PubChem CID71693715
Molecular FormulaC19H26N2O6
Molecular Weight378.43 g/mol
Exact Mass378.18
IUPAC NameN-[4-[(2R,3R)-3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc([C@H]2OCC(=O)N(C3CCOCC3)[C@@H]2CO)cc1
InChIInChI=1S/C19H26N2O6/c1-25-11-17(23)20-14-4-2-13(3-5-14)19-16(10-22)21(18(24)12-27-19)15-6-8-26-9-7-15/h2-5,15-16,19,22H,6-12H2,1H3,(H,20,23)/t16-,19-/m1/s1
InChIKeyBBFHFNGSAUEOSO-VQIMIIECSA-N
XLogP0.71
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide?
The IUPAC name of N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide (CID 71693715) is N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide is COCC(=O)Nc1ccc([C@H]2OCC(=O)N(C3CCOCC3)[C@@H]2CO)cc1.
What is the InChIKey of N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide?
The InChIKey is BBFHFNGSAUEOSO-VQIMIIECSA-N. The full InChI is InChI=1S/C19H26N2O6/c1-25-11-17(23)20-14-4-2-13(3-5-14)19-16(10-22)21(18(24)12-27-19)15-6-8-26-9-7-15/h2-5,15-16,19,22H,6-12H2,1H3,(H,20,23)/t16-,19-/m1/s1.
What are the key properties of N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide?
N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide has a molecular weight of 378.43 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide is sourced from PubChem (CID 71693715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).