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

C16H23NO6 — CID 3728944

IUPACN-[2-(3-ethylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCCc1cccc(OC2OC(CO)C(O)C(O)C2NC(C)=O)c1
InChIInChI=1S/C16H23NO6/c1-3-10-5-4-6-11(7-10)22-16-13(17-9(2)19)15(21)14(20)12(8-18)23-16/h4-7,12-16,18,20-21H,3,8H2,1-2H3,(H,17,19)
InChIKeyORMCLWSFCWYALT-UHFFFAOYSA-N
MW325.36 g/mol
LogP-0.43
Rot. Bonds5

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

N-[2-(3-ethylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 3728944) has the molecular formula C16H23NO6 and a molecular weight of 325.36 g/mol. Its IUPAC name is N-[2-(3-ethylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3-ethylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
PubChem CID3728944
Molecular FormulaC16H23NO6
Molecular Weight325.36 g/mol
Exact Mass325.15
IUPAC NameN-[2-(3-ethylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCCc1cccc(OC2OC(CO)C(O)C(O)C2NC(C)=O)c1
InChIInChI=1S/C16H23NO6/c1-3-10-5-4-6-11(7-10)22-16-13(17-9(2)19)15(21)14(20)12(8-18)23-16/h4-7,12-16,18,20-21H,3,8H2,1-2H3,(H,17,19)
InChIKeyORMCLWSFCWYALT-UHFFFAOYSA-N
XLogP-0.43
TPSA108.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 5-0.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-[2-(3-ethylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 3728944) is N-[2-(3-ethylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[2-(3-ethylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-[2-(3-ethylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is CCc1cccc(OC2OC(CO)C(O)C(O)C2NC(C)=O)c1.
What is the InChIKey of N-[2-(3-ethylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The InChIKey is ORMCLWSFCWYALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO6/c1-3-10-5-4-6-11(7-10)22-16-13(17-9(2)19)15(21)14(20)12(8-18)23-16/h4-7,12-16,18,20-21H,3,8H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(3-ethylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
N-[2-(3-ethylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 325.36 g/mol, XLogP of -0.43, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 3728944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).