N-[5-ethyl-6-(hydroxymethyl)-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]acetamide

C14H27NO5 — CID 21335626

IUPACN-[5-ethyl-6-(hydroxymethyl)-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]acetamide
SMILESCCC1(C)C(CO)OC(COC)C(NC(C)=O)C1OC
InChIInChI=1S/C14H27NO5/c1-6-14(3)11(7-16)20-10(8-18-4)12(13(14)19-5)15-9(2)17/h10-13,16H,6-8H2,1-5H3,(H,15,17)
InChIKeyZYFNFORIMUMKPI-UHFFFAOYSA-N
MW289.37 g/mol
LogP0.33
Rot. Bonds6

About N-[5-ethyl-6-(hydroxymethyl)-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]acetamide

N-[5-ethyl-6-(hydroxymethyl)-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]acetamide (PubChem CID 21335626) has the molecular formula C14H27NO5 and a molecular weight of 289.37 g/mol. Its IUPAC name is N-[5-ethyl-6-(hydroxymethyl)-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-ethyl-6-(hydroxymethyl)-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]acetamide
PubChem CID21335626
Molecular FormulaC14H27NO5
Molecular Weight289.37 g/mol
Exact Mass289.19
IUPAC NameN-[5-ethyl-6-(hydroxymethyl)-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]acetamide
SMILESCCC1(C)C(CO)OC(COC)C(NC(C)=O)C1OC
InChIInChI=1S/C14H27NO5/c1-6-14(3)11(7-16)20-10(8-18-4)12(13(14)19-5)15-9(2)17/h10-13,16H,6-8H2,1-5H3,(H,15,17)
InChIKeyZYFNFORIMUMKPI-UHFFFAOYSA-N
XLogP0.33
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(acetylamino)-2-deoxy-1-seleno-beta-D-galactopyranoside
CID 11551129
4-[[(2R,3R,4S,5S,6S)-5-ethyl-4-hydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]amino]-4-oxobutanoic acid
CID 44411803
1-Deoxy-N-acetylglucosamine
CID 444205
GlyTouCan:G57161KK
CID 18609349
N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-2-(2-hydroxyethyl)-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 44439787
beta-D-SeGlcNAc(1-)
CID 168475441
N-acetyl-1-seleno-beta-D-galactosamine
CID 172407962
N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 444527
N-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]acetamide
CID 14542596
2,2-dimethyl-N-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]propanamide
CID 44389711
N-((1S,3R,4S,5R,6R,7S)-4,5-Dihydroxy-3-(hydroxymethyl)-2-oxabicyclo[4.1.0]heptan-7-yl)butyramide
CID 45483523
N-[(2R,3R,4R,5S,6R)-2-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 53906163

Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-6-(hydroxymethyl)-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]acetamide?
The IUPAC name of N-[5-ethyl-6-(hydroxymethyl)-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]acetamide (CID 21335626) is N-[5-ethyl-6-(hydroxymethyl)-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]acetamide.
What is the SMILES notation for N-[5-ethyl-6-(hydroxymethyl)-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]acetamide?
The canonical SMILES for N-[5-ethyl-6-(hydroxymethyl)-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]acetamide is CCC1(C)C(CO)OC(COC)C(NC(C)=O)C1OC.
What is the InChIKey of N-[5-ethyl-6-(hydroxymethyl)-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]acetamide?
The InChIKey is ZYFNFORIMUMKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO5/c1-6-14(3)11(7-16)20-10(8-18-4)12(13(14)19-5)15-9(2)17/h10-13,16H,6-8H2,1-5H3,(H,15,17).
What are the key properties of N-[5-ethyl-6-(hydroxymethyl)-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]acetamide?
N-[5-ethyl-6-(hydroxymethyl)-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]acetamide has a molecular weight of 289.37 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-6-(hydroxymethyl)-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]acetamide is sourced from PubChem (CID 21335626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).