2,2-diphenyl-N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]acetamide

C21H25NO6 — CID 72836874

IUPAC2,2-diphenyl-N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]acetamide
SMILESCOC1O[C@H](CNC(=O)C(c2ccccc2)c2ccccc2)[C@@H](O)C(O)[C@@H]1O
InChIInChI=1S/C21H25NO6/c1-27-21-19(25)18(24)17(23)15(28-21)12-22-20(26)16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15-19,21,23-25H,12H2,1H3,(H,22,26)/t15-,17-,18?,19+,21?/m1/s1
InChIKeyIKPSHISOVRXADL-YNBHJORCSA-N
MW387.43 g/mol
LogP0.39
Rot. Bonds6

About 2,2-diphenyl-N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]acetamide

2,2-diphenyl-N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]acetamide (PubChem CID 72836874) has the molecular formula C21H25NO6 and a molecular weight of 387.43 g/mol. Its IUPAC name is 2,2-diphenyl-N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2,2-diphenyl-N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]acetamide
PubChem CID72836874
Molecular FormulaC21H25NO6
Molecular Weight387.43 g/mol
Exact Mass387.17
IUPAC Name2,2-diphenyl-N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]acetamide
SMILESCOC1O[C@H](CNC(=O)C(c2ccccc2)c2ccccc2)[C@@H](O)C(O)[C@@H]1O
InChIInChI=1S/C21H25NO6/c1-27-21-19(25)18(24)17(23)15(28-21)12-22-20(26)16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15-19,21,23-25H,12H2,1H3,(H,22,26)/t15-,17-,18?,19+,21?/m1/s1
InChIKeyIKPSHISOVRXADL-YNBHJORCSA-N
XLogP0.39
TPSA108.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 50.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]acetamide?
The IUPAC name of 2,2-diphenyl-N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]acetamide (CID 72836874) is 2,2-diphenyl-N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]acetamide.
What is the SMILES notation for 2,2-diphenyl-N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]acetamide?
The canonical SMILES for 2,2-diphenyl-N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]acetamide is COC1O[C@H](CNC(=O)C(c2ccccc2)c2ccccc2)[C@@H](O)C(O)[C@@H]1O.
What is the InChIKey of 2,2-diphenyl-N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]acetamide?
The InChIKey is IKPSHISOVRXADL-YNBHJORCSA-N. The full InChI is InChI=1S/C21H25NO6/c1-27-21-19(25)18(24)17(23)15(28-21)12-22-20(26)16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15-19,21,23-25H,12H2,1H3,(H,22,26)/t15-,17-,18?,19+,21?/m1/s1.
What are the key properties of 2,2-diphenyl-N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]acetamide?
2,2-diphenyl-N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]acetamide has a molecular weight of 387.43 g/mol, XLogP of 0.39, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]acetamide is sourced from PubChem (CID 72836874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).