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

C15H20N2O7 — CID 118710037

IUPAC2-phenyl-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]acetamide
SMILESO=C(Cc1ccccc1)NC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C15H20N2O7/c18-7-9-11(20)12(21)13(22)14(24-9)17-15(23)16-10(19)6-8-4-2-1-3-5-8/h1-5,9,11-14,18,20-22H,6-7H2,(H2,16,17,19,23)/t9-,11-,12+,13-,14-/m1/s1
InChIKeyYWRVIJAPZFSYTQ-RGCYKPLRSA-N
MW340.33 g/mol
LogP-2.15
Rot. Bonds4

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

2-phenyl-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]acetamide (PubChem CID 118710037) has the molecular formula C15H20N2O7 and a molecular weight of 340.33 g/mol. Its IUPAC name is 2-phenyl-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]acetamide
PubChem CID118710037
Molecular FormulaC15H20N2O7
Molecular Weight340.33 g/mol
Exact Mass340.13
IUPAC Name2-phenyl-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]acetamide
SMILESO=C(Cc1ccccc1)NC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C15H20N2O7/c18-7-9-11(20)12(21)13(22)14(24-9)17-15(23)16-10(19)6-8-4-2-1-3-5-8/h1-5,9,11-14,18,20-22H,6-7H2,(H2,16,17,19,23)/t9-,11-,12+,13-,14-/m1/s1
InChIKeyYWRVIJAPZFSYTQ-RGCYKPLRSA-N
XLogP-2.15
TPSA148.35 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.33
LogP ≤ 5-2.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]acetamide?
The IUPAC name of 2-phenyl-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]acetamide (CID 118710037) is 2-phenyl-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]acetamide.
What is the SMILES notation for 2-phenyl-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]acetamide?
The canonical SMILES for 2-phenyl-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]acetamide is O=C(Cc1ccccc1)NC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of 2-phenyl-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]acetamide?
The InChIKey is YWRVIJAPZFSYTQ-RGCYKPLRSA-N. The full InChI is InChI=1S/C15H20N2O7/c18-7-9-11(20)12(21)13(22)14(24-9)17-15(23)16-10(19)6-8-4-2-1-3-5-8/h1-5,9,11-14,18,20-22H,6-7H2,(H2,16,17,19,23)/t9-,11-,12+,13-,14-/m1/s1.
What are the key properties of 2-phenyl-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]acetamide?
2-phenyl-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]acetamide has a molecular weight of 340.33 g/mol, XLogP of -2.15, 4 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]acetamide is sourced from PubChem (CID 118710037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).