2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]-N-(2-phenylethyl)acetamide

C22H33N3O5 — CID 54643037

IUPAC2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(C[C@H]1CC[C@H](NC(=O)CN2CCOCC2)[C@H](CO)O1)NCCc1ccccc1
InChIInChI=1S/C22H33N3O5/c26-16-20-19(24-22(28)15-25-10-12-29-13-11-25)7-6-18(30-20)14-21(27)23-9-8-17-4-2-1-3-5-17/h1-5,18-20,26H,6-16H2,(H,23,27)(H,24,28)/t18-,19+,20+/m1/s1
InChIKeyAKINIVRTVCZZOC-AABGKKOBSA-N
MW419.52 g/mol
LogP0.09
Rot. Bonds9

About 2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]-N-(2-phenylethyl)acetamide

2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]-N-(2-phenylethyl)acetamide (PubChem CID 54643037) has the molecular formula C22H33N3O5 and a molecular weight of 419.52 g/mol. Its IUPAC name is 2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]-N-(2-phenylethyl)acetamide
PubChem CID54643037
Molecular FormulaC22H33N3O5
Molecular Weight419.52 g/mol
Exact Mass419.24
IUPAC Name2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(C[C@H]1CC[C@H](NC(=O)CN2CCOCC2)[C@H](CO)O1)NCCc1ccccc1
InChIInChI=1S/C22H33N3O5/c26-16-20-19(24-22(28)15-25-10-12-29-13-11-25)7-6-18(30-20)14-21(27)23-9-8-17-4-2-1-3-5-17/h1-5,18-20,26H,6-16H2,(H,23,27)(H,24,28)/t18-,19+,20+/m1/s1
InChIKeyAKINIVRTVCZZOC-AABGKKOBSA-N
XLogP0.09
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2S,3S,6S)-2-(hydroxymethyl)-3-[(2-morpholin-4-ylacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-phenylethyl)acetamide
CID 54643049
2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[(2-morpholin-4-ylacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-phenylethyl)acetamide
CID 54643047
N-cyclobutyl-2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]acetamide
CID 54645355
4-fluoro-N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-phenylethylamino)ethyl]oxan-3-yl]benzamide
CID 54639582
N-[2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]ethyl]-2-pyridin-2-ylacetamide
CID 54645330
N-[2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]ethyl]-2-pyridin-2-ylacetamide
CID 54645333
N-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]ethyl]-2-pyridin-2-ylacetamide
CID 54645326
2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(2-pyridin-2-ylacetyl)amino]oxan-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
CID 54638994
2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(2-pyridin-2-ylacetyl)amino]oxan-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
CID 54638991
2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[(2-pyridin-2-ylacetyl)amino]oxan-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
CID 54638996
N-[2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]ethyl]cyclopentanecarboxamide
CID 54645618
N-[(2S,3S,6S)-6-[2-[(2-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-morpholin-4-ylacetamide
CID 54639369

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]-N-(2-phenylethyl)acetamide (CID 54643037) is 2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]-N-(2-phenylethyl)acetamide is O=C(C[C@H]1CC[C@H](NC(=O)CN2CCOCC2)[C@H](CO)O1)NCCc1ccccc1.
What is the InChIKey of 2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is AKINIVRTVCZZOC-AABGKKOBSA-N. The full InChI is InChI=1S/C22H33N3O5/c26-16-20-19(24-22(28)15-25-10-12-29-13-11-25)7-6-18(30-20)14-21(27)23-9-8-17-4-2-1-3-5-17/h1-5,18-20,26H,6-16H2,(H,23,27)(H,24,28)/t18-,19+,20+/m1/s1.
What are the key properties of 2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]-N-(2-phenylethyl)acetamide?
2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 419.52 g/mol, XLogP of 0.09, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 54643037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).