(2R)-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-N-[(2R)-oxan-2-yl]acetamide

C16H27NO5 — CID 11809166

IUPAC(2R)-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-N-[(2R)-oxan-2-yl]acetamide
SMILESC=C1C[C@](OC)([C@@H](O)C(=O)N[C@H]2CCCCO2)O[C@H](C)[C@@H]1C
InChIInChI=1S/C16H27NO5/c1-10-9-16(20-4,22-12(3)11(10)2)14(18)15(19)17-13-7-5-6-8-21-13/h11-14,18H,1,5-9H2,2-4H3,(H,17,19)/t11-,12-,13-,14+,16-/m1/s1
InChIKeyLHAJITSISKARSV-AQDIXCGQSA-N
MW313.39 g/mol
LogP1.33
Rot. Bonds4

About (2R)-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-N-[(2R)-oxan-2-yl]acetamide

(2R)-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-N-[(2R)-oxan-2-yl]acetamide (PubChem CID 11809166) has the molecular formula C16H27NO5 and a molecular weight of 313.39 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-N-[(2R)-oxan-2-yl]acetamide.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-N-[(2R)-oxan-2-yl]acetamide
PubChem CID11809166
Molecular FormulaC16H27NO5
Molecular Weight313.39 g/mol
Exact Mass313.19
IUPAC Name(2R)-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-N-[(2R)-oxan-2-yl]acetamide
SMILESC=C1C[C@](OC)([C@@H](O)C(=O)N[C@H]2CCCCO2)O[C@H](C)[C@@H]1C
InChIInChI=1S/C16H27NO5/c1-10-9-16(20-4,22-12(3)11(10)2)14(18)15(19)17-13-7-5-6-8-21-13/h11-14,18H,1,5-9H2,2-4H3,(H,17,19)/t11-,12-,13-,14+,16-/m1/s1
InChIKeyLHAJITSISKARSV-AQDIXCGQSA-N
XLogP1.33
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R)-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-N-[(2R)-oxan-2-yl]acetamide with MolForge

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Related Compounds

(2S)-N-[(4S,4aS,6R,8S,8aR)-8-methoxy-7,7-dimethyl-6-[[(2S)-5-oxooxolan-2-yl]methyl]-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide
CID 23243255
methyl (5R)-6-[(4S,4aS,6R,8S,8aR)-4-[[(2S)-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetyl]amino]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-yl]-5-hydroxyhexanoate
CID 10257500
N-[(4aS,8aS)-6-(2,6-dihydroxyhexyl)-8,8-difluoro-7,7-dimethyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxin-4-yl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide
CID 143918631
(2S)-2-hydroxy-N-[(S)-[(2S,4R,6R)-4-hydroxy-6-[(2S)-2-hydroxy-3-methylsulfanyloxypropyl]-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide
CID 170020425
(2S)-N-[(4S,4aS,6R,8aR)-6-[(E,2S)-2,10-dihydroxydec-3-enyl]-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide
CID 44594623
(2S)-N-[(4S,4aS,6R,8aS)-6-[(E,2S)-2,10-dihydroxydec-3-enyl]-8,8-difluoro-7,7-dimethyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxin-4-yl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide
CID 44595621
5-(1-aminoethylideneamino)-2-[[6-[2-hydroxy-6-[[4-[[2-hydroxy-2-(2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl)acetyl]amino]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-yl]methyl]oxan-2-yl]-6-oxohexa-2,4-dienoyl]amino]pentanoic acid
CID 163066232
(2E,4E,9R)-10-[(2R,6S)-4,4-difluoro-6-[(S)-[[(2S)-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetyl]amino]-methoxymethyl]-3,3-dimethyloxan-2-yl]-9-hydroxydeca-2,4-dienoic acid
CID 44594054
N-(oxan-2-yl)benzamide
CID 3717262
(2R)-2-(oxan-2-ylamino)propanoic acid
CID 68789041
N-[(2R)-oxan-2-yl]-2-(phosphanylamino)acetamide
CID 58384212
methyl 1-(oxan-2-yloxy)cyclobutane-1-carboxylate
CID 169100738

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-N-[(2R)-oxan-2-yl]acetamide?
The IUPAC name of (2R)-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-N-[(2R)-oxan-2-yl]acetamide (CID 11809166) is (2R)-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-N-[(2R)-oxan-2-yl]acetamide.
What is the SMILES notation for (2R)-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-N-[(2R)-oxan-2-yl]acetamide?
The canonical SMILES for (2R)-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-N-[(2R)-oxan-2-yl]acetamide is C=C1C[C@](OC)([C@@H](O)C(=O)N[C@H]2CCCCO2)O[C@H](C)[C@@H]1C.
What is the InChIKey of (2R)-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-N-[(2R)-oxan-2-yl]acetamide?
The InChIKey is LHAJITSISKARSV-AQDIXCGQSA-N. The full InChI is InChI=1S/C16H27NO5/c1-10-9-16(20-4,22-12(3)11(10)2)14(18)15(19)17-13-7-5-6-8-21-13/h11-14,18H,1,5-9H2,2-4H3,(H,17,19)/t11-,12-,13-,14+,16-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-N-[(2R)-oxan-2-yl]acetamide?
(2R)-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-N-[(2R)-oxan-2-yl]acetamide has a molecular weight of 313.39 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-N-[(2R)-oxan-2-yl]acetamide is sourced from PubChem (CID 11809166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).