N-[2,5-diethyl-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

C12H23NO4 — CID 71179582

IUPACN-[2,5-diethyl-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCCC1OC(CO)C(CC)C(O)C1NC(C)=O
InChIInChI=1S/C12H23NO4/c1-4-8-10(6-14)17-9(5-2)11(12(8)16)13-7(3)15/h8-12,14,16H,4-6H2,1-3H3,(H,13,15)
InChIKeyPDWZTKAWPDCAIY-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.05
Rot. Bonds4

About N-[2,5-diethyl-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

N-[2,5-diethyl-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 71179582) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-[2,5-diethyl-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[2,5-diethyl-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
PubChem CID71179582
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC NameN-[2,5-diethyl-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCCC1OC(CO)C(CC)C(O)C1NC(C)=O
InChIInChI=1S/C12H23NO4/c1-4-8-10(6-14)17-9(5-2)11(12(8)16)13-7(3)15/h8-12,14,16H,4-6H2,1-3H3,(H,13,15)
InChIKeyPDWZTKAWPDCAIY-UHFFFAOYSA-N
XLogP0.05
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R,5S)-5-ethyl-4-hydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]acetamide
CID 54151858
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,5R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]acetamide
CID 70799397
N-[(3R,4R,5R,6R)-2-[[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 173295647
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-[2-ethyl-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
CID 134482955
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-oxopropyl)oxan-3-yl]acetamide
CID 11379971
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,3S,4R,5S,6S)-4-hydroxy-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide
CID 134413631
N-[2,5-dihydroxy-4,6-bis(hydroxymethyl)oxan-3-yl]acetamide
CID 71079558

Frequently Asked Questions

What is the IUPAC name of N-[2,5-diethyl-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-[2,5-diethyl-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 71179582) is N-[2,5-diethyl-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[2,5-diethyl-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-[2,5-diethyl-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is CCC1OC(CO)C(CC)C(O)C1NC(C)=O.
What is the InChIKey of N-[2,5-diethyl-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The InChIKey is PDWZTKAWPDCAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-4-8-10(6-14)17-9(5-2)11(12(8)16)13-7(3)15/h8-12,14,16H,4-6H2,1-3H3,(H,13,15).
What are the key properties of N-[2,5-diethyl-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
N-[2,5-diethyl-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 245.32 g/mol, XLogP of 0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-diethyl-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 71179582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).