3-phenyl-N-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]benzamide

C19H21NO5 — CID 165416413

IUPAC3-phenyl-N-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]benzamide
SMILESC[C@@H]1O[C@H](NC(=O)c2cccc(-c3ccccc3)c2)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C19H21NO5/c1-11-15(21)16(22)17(23)19(25-11)20-18(24)14-9-5-8-13(10-14)12-6-3-2-4-7-12/h2-11,15-17,19,21-23H,1H3,(H,20,24)/t11-,15+,16+,17-,19-/m0/s1
InChIKeyKFRIUGARMXQWFO-QFFBLRJASA-N
MW343.38 g/mol
LogP0.91
Rot. Bonds3

About 3-phenyl-N-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]benzamide

3-phenyl-N-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]benzamide (PubChem CID 165416413) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 3-phenyl-N-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]benzamide.

Molecular Properties

Compound Name3-phenyl-N-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]benzamide
PubChem CID165416413
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name3-phenyl-N-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]benzamide
SMILESC[C@@H]1O[C@H](NC(=O)c2cccc(-c3ccccc3)c2)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C19H21NO5/c1-11-15(21)16(22)17(23)19(25-11)20-18(24)14-9-5-8-13(10-14)12-6-3-2-4-7-12/h2-11,15-17,19,21-23H,1H3,(H,20,24)/t11-,15+,16+,17-,19-/m0/s1
InChIKeyKFRIUGARMXQWFO-QFFBLRJASA-N
XLogP0.91
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 50.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]benzamide?
The IUPAC name of 3-phenyl-N-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]benzamide (CID 165416413) is 3-phenyl-N-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]benzamide.
What is the SMILES notation for 3-phenyl-N-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]benzamide?
The canonical SMILES for 3-phenyl-N-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]benzamide is C[C@@H]1O[C@H](NC(=O)c2cccc(-c3ccccc3)c2)[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of 3-phenyl-N-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]benzamide?
The InChIKey is KFRIUGARMXQWFO-QFFBLRJASA-N. The full InChI is InChI=1S/C19H21NO5/c1-11-15(21)16(22)17(23)19(25-11)20-18(24)14-9-5-8-13(10-14)12-6-3-2-4-7-12/h2-11,15-17,19,21-23H,1H3,(H,20,24)/t11-,15+,16+,17-,19-/m0/s1.
What are the key properties of 3-phenyl-N-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]benzamide?
3-phenyl-N-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]benzamide has a molecular weight of 343.38 g/mol, XLogP of 0.91, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]benzamide is sourced from PubChem (CID 165416413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).