N-[6-amino-5-ethyl-4-hydroxy-6-(hydroxymethyl)-2-(methoxymethyl)oxan-3-yl]acetamide

C12H24N2O5 — CID 122520459

IUPACN-[6-amino-5-ethyl-4-hydroxy-6-(hydroxymethyl)-2-(methoxymethyl)oxan-3-yl]acetamide
SMILESCCC1C(O)C(NC(C)=O)C(COC)OC1(N)CO
InChIInChI=1S/C12H24N2O5/c1-4-8-11(17)10(14-7(2)16)9(5-18-3)19-12(8,13)6-15/h8-11,15,17H,4-6,13H2,1-3H3,(H,14,16)
InChIKeyLFQWXQSEMHSCKT-UHFFFAOYSA-N
MW276.33 g/mol
LogP-1.43
Rot. Bonds5

About N-[6-amino-5-ethyl-4-hydroxy-6-(hydroxymethyl)-2-(methoxymethyl)oxan-3-yl]acetamide

N-[6-amino-5-ethyl-4-hydroxy-6-(hydroxymethyl)-2-(methoxymethyl)oxan-3-yl]acetamide (PubChem CID 122520459) has the molecular formula C12H24N2O5 and a molecular weight of 276.33 g/mol. Its IUPAC name is N-[6-amino-5-ethyl-4-hydroxy-6-(hydroxymethyl)-2-(methoxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[6-amino-5-ethyl-4-hydroxy-6-(hydroxymethyl)-2-(methoxymethyl)oxan-3-yl]acetamide
PubChem CID122520459
Molecular FormulaC12H24N2O5
Molecular Weight276.33 g/mol
Exact Mass276.17
IUPAC NameN-[6-amino-5-ethyl-4-hydroxy-6-(hydroxymethyl)-2-(methoxymethyl)oxan-3-yl]acetamide
SMILESCCC1C(O)C(NC(C)=O)C(COC)OC1(N)CO
InChIInChI=1S/C12H24N2O5/c1-4-8-11(17)10(14-7(2)16)9(5-18-3)19-12(8,13)6-15/h8-11,15,17H,4-6,13H2,1-3H3,(H,14,16)
InChIKeyLFQWXQSEMHSCKT-UHFFFAOYSA-N
XLogP-1.43
TPSA114.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 5-1.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-acetamido-4-hydroxy-3-methoxy-6-(methoxymethyl)oxane-2-carboxylate
CID 59533637
N-[(2S,3R,4S,5S,6S)-5-hydroxy-2,4-dimethoxy-6-(methoxymethyl)oxan-3-yl]acetamide
CID 11891134
N-[2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 20760803
N-[(3R,4R,5R,6R)-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 138493410
N-[(2R,5S)-5-ethyl-4-hydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]acetamide
CID 54151858
N-[2,5-diethyl-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 71179582
[(3S,6R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methyl acetate
CID 135070648
CID 58738350
CID 58738350
N-[(2R,5R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]acetamide
CID 70799397
N-[(2S,5S,6R)-5-[[(2R,5S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-(methoxymethyl)oxan-2-yl]methoxymethyl]-2-ethyl-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]-3-[[3-[[(2S,3S,5S)-5-[[(2R,4R,5S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-(methoxymethyl)oxan-2-yl]methoxymethyl]-2-ethyl-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-3-oxopropyl]disulfanyl]propanamide
CID 88902866
N-[(2R,3R,4R,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
CID 156616950
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-oxopropyl)oxan-3-yl]acetamide
CID 11379971

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-ethyl-4-hydroxy-6-(hydroxymethyl)-2-(methoxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-[6-amino-5-ethyl-4-hydroxy-6-(hydroxymethyl)-2-(methoxymethyl)oxan-3-yl]acetamide (CID 122520459) is N-[6-amino-5-ethyl-4-hydroxy-6-(hydroxymethyl)-2-(methoxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[6-amino-5-ethyl-4-hydroxy-6-(hydroxymethyl)-2-(methoxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-[6-amino-5-ethyl-4-hydroxy-6-(hydroxymethyl)-2-(methoxymethyl)oxan-3-yl]acetamide is CCC1C(O)C(NC(C)=O)C(COC)OC1(N)CO.
What is the InChIKey of N-[6-amino-5-ethyl-4-hydroxy-6-(hydroxymethyl)-2-(methoxymethyl)oxan-3-yl]acetamide?
The InChIKey is LFQWXQSEMHSCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O5/c1-4-8-11(17)10(14-7(2)16)9(5-18-3)19-12(8,13)6-15/h8-11,15,17H,4-6,13H2,1-3H3,(H,14,16).
What are the key properties of N-[6-amino-5-ethyl-4-hydroxy-6-(hydroxymethyl)-2-(methoxymethyl)oxan-3-yl]acetamide?
N-[6-amino-5-ethyl-4-hydroxy-6-(hydroxymethyl)-2-(methoxymethyl)oxan-3-yl]acetamide has a molecular weight of 276.33 g/mol, XLogP of -1.43, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-5-ethyl-4-hydroxy-6-(hydroxymethyl)-2-(methoxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 122520459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).