N-[4-hydroxy-6-(hydroxymethyl)-5-(2-methylbutan-2-yloxy)-2-(2-methylpentan-2-yl)oxan-3-yl]acetamide

C19H37NO5 — CID 122467400

IUPACN-[4-hydroxy-6-(hydroxymethyl)-5-(2-methylbutan-2-yloxy)-2-(2-methylpentan-2-yl)oxan-3-yl]acetamide
SMILESCCCC(C)(C)C1OC(CO)C(OC(C)(C)CC)C(O)C1NC(C)=O
InChIInChI=1S/C19H37NO5/c1-8-10-18(4,5)17-14(20-12(3)22)15(23)16(13(11-21)24-17)25-19(6,7)9-2/h13-17,21,23H,8-11H2,1-7H3,(H,20,22)
InChIKeyJWPSCUHEVKKUQV-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.01
Rot. Bonds8

About N-[4-hydroxy-6-(hydroxymethyl)-5-(2-methylbutan-2-yloxy)-2-(2-methylpentan-2-yl)oxan-3-yl]acetamide

N-[4-hydroxy-6-(hydroxymethyl)-5-(2-methylbutan-2-yloxy)-2-(2-methylpentan-2-yl)oxan-3-yl]acetamide (PubChem CID 122467400) has the molecular formula C19H37NO5 and a molecular weight of 359.51 g/mol. Its IUPAC name is N-[4-hydroxy-6-(hydroxymethyl)-5-(2-methylbutan-2-yloxy)-2-(2-methylpentan-2-yl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-hydroxy-6-(hydroxymethyl)-5-(2-methylbutan-2-yloxy)-2-(2-methylpentan-2-yl)oxan-3-yl]acetamide
PubChem CID122467400
Molecular FormulaC19H37NO5
Molecular Weight359.51 g/mol
Exact Mass359.27
IUPAC NameN-[4-hydroxy-6-(hydroxymethyl)-5-(2-methylbutan-2-yloxy)-2-(2-methylpentan-2-yl)oxan-3-yl]acetamide
SMILESCCCC(C)(C)C1OC(CO)C(OC(C)(C)CC)C(O)C1NC(C)=O
InChIInChI=1S/C19H37NO5/c1-8-10-18(4,5)17-14(20-12(3)22)15(23)16(13(11-21)24-17)25-19(6,7)9-2/h13-17,21,23H,8-11H2,1-7H3,(H,20,22)
InChIKeyJWPSCUHEVKKUQV-UHFFFAOYSA-N
XLogP2.01
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S,3R,4R,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-3-yl]acetamide
CID 23380361
N-[(3R)-2-tert-butyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 130402782
N-[2-(hydroxymethyl)-4-(2-methylbutan-2-yl)-3,7-dioxabicyclo[4.1.0]heptan-5-yl]acetamide
CID 89312498
3-(hydroxymethyl)-4-(2-methylbutan-2-yloxy)-8-prop-1-en-2-yl-2-oxa-7-azabicyclo[4.2.0]octan-5-ol
CID 123173436
N-[2-[5-acetamido-2-(hydroxymethyl)-6-(3-methylpentan-3-yl)-4-oxooxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yloxy)oxan-3-yl]acetamide
CID 123738140
[(2R,3S,4R,5R,6S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate
CID 175973159
N-[(2S,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]acetamide
CID 70004972
N-[(2R,3S,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]acetamide
CID 131118562
N-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2-methylpropan-2-yl)oxy]oxan-3-yl]acetamide
CID 148990627
[(3S,4R)-5-acetamido-4-acetyloxy-6-hydroxy-2-(hydroxymethyl)oxan-3-yl] acetate
CID 71312900
N-[(3R)-2,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-3-yl]acetamide
CID 174192360
N-[4-hydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yl)-2-(3-methylpentan-3-yloxy)oxan-3-yl]acetamide
CID 174250597

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-6-(hydroxymethyl)-5-(2-methylbutan-2-yloxy)-2-(2-methylpentan-2-yl)oxan-3-yl]acetamide?
The IUPAC name of N-[4-hydroxy-6-(hydroxymethyl)-5-(2-methylbutan-2-yloxy)-2-(2-methylpentan-2-yl)oxan-3-yl]acetamide (CID 122467400) is N-[4-hydroxy-6-(hydroxymethyl)-5-(2-methylbutan-2-yloxy)-2-(2-methylpentan-2-yl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[4-hydroxy-6-(hydroxymethyl)-5-(2-methylbutan-2-yloxy)-2-(2-methylpentan-2-yl)oxan-3-yl]acetamide?
The canonical SMILES for N-[4-hydroxy-6-(hydroxymethyl)-5-(2-methylbutan-2-yloxy)-2-(2-methylpentan-2-yl)oxan-3-yl]acetamide is CCCC(C)(C)C1OC(CO)C(OC(C)(C)CC)C(O)C1NC(C)=O.
What is the InChIKey of N-[4-hydroxy-6-(hydroxymethyl)-5-(2-methylbutan-2-yloxy)-2-(2-methylpentan-2-yl)oxan-3-yl]acetamide?
The InChIKey is JWPSCUHEVKKUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO5/c1-8-10-18(4,5)17-14(20-12(3)22)15(23)16(13(11-21)24-17)25-19(6,7)9-2/h13-17,21,23H,8-11H2,1-7H3,(H,20,22).
What are the key properties of N-[4-hydroxy-6-(hydroxymethyl)-5-(2-methylbutan-2-yloxy)-2-(2-methylpentan-2-yl)oxan-3-yl]acetamide?
N-[4-hydroxy-6-(hydroxymethyl)-5-(2-methylbutan-2-yloxy)-2-(2-methylpentan-2-yl)oxan-3-yl]acetamide has a molecular weight of 359.51 g/mol, XLogP of 2.01, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-6-(hydroxymethyl)-5-(2-methylbutan-2-yloxy)-2-(2-methylpentan-2-yl)oxan-3-yl]acetamide is sourced from PubChem (CID 122467400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).