N-[(2R,3S,4R,5S)-4-hydroxy-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-yl]acetamide

C16H27NO3 — CID 176613007

IUPACN-[(2R,3S,4R,5S)-4-hydroxy-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-yl]acetamide
SMILESC=C=C[C@]1(O)[C@H](C(C)C)O[C@H](CC(C)C)[C@@H]1NC(C)=O
InChIInChI=1S/C16H27NO3/c1-7-8-16(19)14(17-12(6)18)13(9-10(2)3)20-15(16)11(4)5/h8,10-11,13-15,19H,1,9H2,2-6H3,(H,17,18)/t13-,14+,15+,16-/m1/s1
InChIKeyCBTUAUFBXLBJFP-FXUDXRNXSA-N
MW281.40 g/mol
LogP2.03
Rot. Bonds5

About N-[(2R,3S,4R,5S)-4-hydroxy-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-yl]acetamide

N-[(2R,3S,4R,5S)-4-hydroxy-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-yl]acetamide (PubChem CID 176613007) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[(2R,3S,4R,5S)-4-hydroxy-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3S,4R,5S)-4-hydroxy-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-yl]acetamide
PubChem CID176613007
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC NameN-[(2R,3S,4R,5S)-4-hydroxy-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-yl]acetamide
SMILESC=C=C[C@]1(O)[C@H](C(C)C)O[C@H](CC(C)C)[C@@H]1NC(C)=O
InChIInChI=1S/C16H27NO3/c1-7-8-16(19)14(17-12(6)18)13(9-10(2)3)20-15(16)11(4)5/h8,10-11,13-15,19H,1,9H2,2-6H3,(H,17,18)/t13-,14+,15+,16-/m1/s1
InChIKeyCBTUAUFBXLBJFP-FXUDXRNXSA-N
XLogP2.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R,3R,4R,5S)-4-(dimethylamino)-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide
CID 176612852
[(2R,3R,4S,5S)-4-chloro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-yl] acetate
CID 176613205
[(2S,3R,4R,5R)-4-amino-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolan-3-yl] acetate
CID 176613243
[(2R,3R,4S,5S)-4-chloro-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl] acetate
CID 176612957
(2R,3S,4R,5S)-4-amino-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-ol
CID 176612858
(2S,3R,4R,5R)-3-ethynyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diol
CID 176613054
[(2R,3S,4S,5S)-4-ethynyl-4-(methylamino)-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl] acetate
CID 176613140
[(2R,3R,4S,5S)-4-chloro-4-ethynyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl] acetate
CID 176612940
(2R,3S,4R,5S)-4-ethenyl-4-(methylamino)-2-(2-methylpropyl)-5-propan-2-yloxolan-3-ol
CID 176612853
N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(2-methylpropyl)oxan-3-yl]acetamide
CID 148766556
(2R,3R,4R,5S)-4-ethenyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-ol
CID 176613058
N-[5-hydroxy-2-methoxy-6-(2-methylpropyl)-4-propan-2-yloxan-3-yl]acetamide
CID 176721112

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S,4R,5S)-4-hydroxy-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-yl]acetamide?
The IUPAC name of N-[(2R,3S,4R,5S)-4-hydroxy-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-yl]acetamide (CID 176613007) is N-[(2R,3S,4R,5S)-4-hydroxy-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3S,4R,5S)-4-hydroxy-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-yl]acetamide?
The canonical SMILES for N-[(2R,3S,4R,5S)-4-hydroxy-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-yl]acetamide is C=C=C[C@]1(O)[C@H](C(C)C)O[C@H](CC(C)C)[C@@H]1NC(C)=O.
What is the InChIKey of N-[(2R,3S,4R,5S)-4-hydroxy-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-yl]acetamide?
The InChIKey is CBTUAUFBXLBJFP-FXUDXRNXSA-N. The full InChI is InChI=1S/C16H27NO3/c1-7-8-16(19)14(17-12(6)18)13(9-10(2)3)20-15(16)11(4)5/h8,10-11,13-15,19H,1,9H2,2-6H3,(H,17,18)/t13-,14+,15+,16-/m1/s1.
What are the key properties of N-[(2R,3S,4R,5S)-4-hydroxy-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-yl]acetamide?
N-[(2R,3S,4R,5S)-4-hydroxy-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-yl]acetamide has a molecular weight of 281.40 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S,4R,5S)-4-hydroxy-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-yl]acetamide is sourced from PubChem (CID 176613007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).