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

C15H20BrNO6 — CID 5033885

IUPACN-[2-[(3-bromophenyl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)NC1C(OCc2cccc(Br)c2)OC(CO)C(O)C1O
InChIInChI=1S/C15H20BrNO6/c1-8(19)17-12-14(21)13(20)11(6-18)23-15(12)22-7-9-3-2-4-10(16)5-9/h2-5,11-15,18,20-21H,6-7H2,1H3,(H,17,19)
InChIKeyAURVZFXHSYLBKW-UHFFFAOYSA-N
MW390.23 g/mol
LogP-0.09
Rot. Bonds5

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

N-[2-[(3-bromophenyl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 5033885) has the molecular formula C15H20BrNO6 and a molecular weight of 390.23 g/mol. Its IUPAC name is N-[2-[(3-bromophenyl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(3-bromophenyl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
PubChem CID5033885
Molecular FormulaC15H20BrNO6
Molecular Weight390.23 g/mol
Exact Mass389.05
IUPAC NameN-[2-[(3-bromophenyl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)NC1C(OCc2cccc(Br)c2)OC(CO)C(O)C1O
InChIInChI=1S/C15H20BrNO6/c1-8(19)17-12-14(21)13(20)11(6-18)23-15(12)22-7-9-3-2-4-10(16)5-9/h2-5,11-15,18,20-21H,6-7H2,1H3,(H,17,19)
InChIKeyAURVZFXHSYLBKW-UHFFFAOYSA-N
XLogP-0.09
TPSA108.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R,3S,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]acetamide
CID 11888392
N-[(4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]acetamide
CID 172641817
N-[(2S,3R,4R,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]acetamide
CID 11870400
N-[(2R,3R,4R,5S,6R)-2-[(3,4-dimethoxyphenyl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 24748007
N-[(2S,3R,4S,5R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-3-yl]acetamide
CID 54246589
N-[(2S,3R,4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2,5-bis(phenylmethoxy)oxan-3-yl]acetamide
CID 23266984
N-[(2S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-[4-[[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenoxy]oxan-3-yl]acetamide
CID 129024027
N-[(2S,3S,4S,5R,6R)-2-(3-ethylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 124722065
N-[(2R,3R,4R,5S,6R)-2-ethoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 7573789
N-[(2S,3R,4S,5S,6S)-2-[(2,4-dichlorophenyl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11903208
N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(5-phenylpentoxy)oxan-3-yl]acetamide
CID 102065434
[(2R,3S,4R,5R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl] benzoate
CID 101051897

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-bromophenyl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-[2-[(3-bromophenyl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 5033885) is N-[2-[(3-bromophenyl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[2-[(3-bromophenyl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-[2-[(3-bromophenyl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is CC(=O)NC1C(OCc2cccc(Br)c2)OC(CO)C(O)C1O.
What is the InChIKey of N-[2-[(3-bromophenyl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The InChIKey is AURVZFXHSYLBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO6/c1-8(19)17-12-14(21)13(20)11(6-18)23-15(12)22-7-9-3-2-4-10(16)5-9/h2-5,11-15,18,20-21H,6-7H2,1H3,(H,17,19).
What are the key properties of N-[2-[(3-bromophenyl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
N-[2-[(3-bromophenyl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 390.23 g/mol, XLogP of -0.09, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-bromophenyl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 5033885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).