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

C14H19NO6 — CID 3277970

IUPAC2-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide
SMILESCc1ccccc1C(=O)NC1C(O)OC(CO)C(O)C1O
InChIInChI=1S/C14H19NO6/c1-7-4-2-3-5-8(7)13(19)15-10-12(18)11(17)9(6-16)21-14(10)20/h2-5,9-12,14,16-18,20H,6H2,1H3,(H,15,19)
InChIKeyZWRASUMSHKKCJN-UHFFFAOYSA-N
MW297.31 g/mol
LogP-1.48
Rot. Bonds3

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

2-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide (PubChem CID 3277970) has the molecular formula C14H19NO6 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide
PubChem CID3277970
Molecular FormulaC14H19NO6
Molecular Weight297.31 g/mol
Exact Mass297.12
IUPAC Name2-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide
SMILESCc1ccccc1C(=O)NC1C(O)OC(CO)C(O)C1O
InChIInChI=1S/C14H19NO6/c1-7-4-2-3-5-8(7)13(19)15-10-12(18)11(17)9(6-16)21-14(10)20/h2-5,9-12,14,16-18,20H,6H2,1H3,(H,15,19)
InChIKeyZWRASUMSHKKCJN-UHFFFAOYSA-N
XLogP-1.48
TPSA119.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-1.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide?
The IUPAC name of 2-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide (CID 3277970) is 2-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide?
The canonical SMILES for 2-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide is Cc1ccccc1C(=O)NC1C(O)OC(CO)C(O)C1O.
What is the InChIKey of 2-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide?
The InChIKey is ZWRASUMSHKKCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO6/c1-7-4-2-3-5-8(7)13(19)15-10-12(18)11(17)9(6-16)21-14(10)20/h2-5,9-12,14,16-18,20H,6H2,1H3,(H,15,19).
What are the key properties of 2-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide?
2-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide has a molecular weight of 297.31 g/mol, XLogP of -1.48, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide is sourced from PubChem (CID 3277970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).