N'-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxamide

C14H18N2O7 — CID 25227370

IUPACN'-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxamide
SMILESO=C(Nc1ccccc1)C(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H18N2O7/c17-6-8-9(18)10(19)11(20)14(23-8)16-13(22)12(21)15-7-4-2-1-3-5-7/h1-5,8-11,14,17-20H,6H2,(H,15,21)(H,16,22)/t8-,9-,10+,11-,14-/m1/s1
InChIKeyMWGDULHTYQLGFY-YNXVLUOKSA-N
MW326.31 g/mol
LogP-2.46
Rot. Bonds3

About N'-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxamide

N'-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxamide (PubChem CID 25227370) has the molecular formula C14H18N2O7 and a molecular weight of 326.31 g/mol. Its IUPAC name is N'-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxamide.

Molecular Properties

Compound NameN'-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxamide
PubChem CID25227370
Molecular FormulaC14H18N2O7
Molecular Weight326.31 g/mol
Exact Mass326.11
IUPAC NameN'-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxamide
SMILESO=C(Nc1ccccc1)C(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H18N2O7/c17-6-8-9(18)10(19)11(20)14(23-8)16-13(22)12(21)15-7-4-2-1-3-5-7/h1-5,8-11,14,17-20H,6H2,(H,15,21)(H,16,22)/t8-,9-,10+,11-,14-/m1/s1
InChIKeyMWGDULHTYQLGFY-YNXVLUOKSA-N
XLogP-2.46
TPSA148.35 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.31
LogP ≤ 5-2.46
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxamide?
The IUPAC name of N'-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxamide (CID 25227370) is N'-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxamide.
What is the SMILES notation for N'-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxamide?
The canonical SMILES for N'-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxamide is O=C(Nc1ccccc1)C(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of N'-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxamide?
The InChIKey is MWGDULHTYQLGFY-YNXVLUOKSA-N. The full InChI is InChI=1S/C14H18N2O7/c17-6-8-9(18)10(19)11(20)14(23-8)16-13(22)12(21)15-7-4-2-1-3-5-7/h1-5,8-11,14,17-20H,6H2,(H,15,21)(H,16,22)/t8-,9-,10+,11-,14-/m1/s1.
What are the key properties of N'-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxamide?
N'-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxamide has a molecular weight of 326.31 g/mol, XLogP of -2.46, 3 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxamide is sourced from PubChem (CID 25227370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).