N-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]benzamide

C14H19NO6 — CID 14542598

IUPACN-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]benzamide
SMILESO=C(NCC1OC(CO)C(O)C(O)C1O)c1ccccc1
InChIInChI=1S/C14H19NO6/c16-7-10-12(18)13(19)11(17)9(21-10)6-15-14(20)8-4-2-1-3-5-8/h1-5,9-13,16-19H,6-7H2,(H,15,20)
InChIKeyLFOASNAQEMQCAC-UHFFFAOYSA-N
MW297.31 g/mol
LogP-1.74
Rot. Bonds4

About N-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]benzamide

N-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]benzamide (PubChem CID 14542598) has the molecular formula C14H19NO6 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]benzamide
PubChem CID14542598
Molecular FormulaC14H19NO6
Molecular Weight297.31 g/mol
Exact Mass297.12
IUPAC NameN-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]benzamide
SMILESO=C(NCC1OC(CO)C(O)C(O)C1O)c1ccccc1
InChIInChI=1S/C14H19NO6/c16-7-10-12(18)13(19)11(17)9(21-10)6-15-14(20)8-4-2-1-3-5-8/h1-5,9-13,16-19H,6-7H2,(H,15,20)
InChIKeyLFOASNAQEMQCAC-UHFFFAOYSA-N
XLogP-1.74
TPSA119.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-1.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

N-Benzoyl-N'-Beta-D-Glucopyranosyl Urea
CID 446600
N-[(4-Tert-Butylbenzoyl)carbamoyl]-Beta-D-Glucopyranosylamine
CID 72193893
N-(beta-L-Fucopyranosyl)-biphenyl-3-carboxamide
CID 165416413
N-(phenylcarbonyl)-beta-D-glucopyranosylamine
CID 11243053
N-{[(4-methylphenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine
CID 24851683
4-sulfamoyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide
CID 164613293
4-sulfamoyl-N-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide
CID 164619991
4-sulfamoyl-N-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide
CID 164625566
3-phenyl-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide
CID 127048545
N-[(biphenyl-4-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine
CID 24851684
N-{[4-(Trifluoromethyl)benzoyl]carbamoyl}-Beta-D-Glucopyranosylamine
CID 72193892
N-(alpha-L-Fucopyranosyl)benzamide
CID 165416412

Frequently Asked Questions

What is the IUPAC name of N-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]benzamide?
The IUPAC name of N-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]benzamide (CID 14542598) is N-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]benzamide?
The canonical SMILES for N-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]benzamide is O=C(NCC1OC(CO)C(O)C(O)C1O)c1ccccc1.
What is the InChIKey of N-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]benzamide?
The InChIKey is LFOASNAQEMQCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO6/c16-7-10-12(18)13(19)11(17)9(21-10)6-15-14(20)8-4-2-1-3-5-8/h1-5,9-13,16-19H,6-7H2,(H,15,20).
What are the key properties of N-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]benzamide?
N-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]benzamide has a molecular weight of 297.31 g/mol, XLogP of -1.74, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]benzamide is sourced from PubChem (CID 14542598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).