N-[(2R,3R,4R,5R,6R)-5-benzamido-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]benzamide

C21H24N2O6 — CID 54063653

IUPACN-[(2R,3R,4R,5R,6R)-5-benzamido-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]benzamide
SMILESCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](NC(=O)c2ccccc2)[C@H]1NC(=O)c1ccccc1
InChIInChI=1S/C21H24N2O6/c1-28-21-17(23-20(27)14-10-6-3-7-11-14)16(18(25)15(12-24)29-21)22-19(26)13-8-4-2-5-9-13/h2-11,15-18,21,24-25H,12H2,1H3,(H,22,26)(H,23,27)/t15-,16-,17-,18+,21-/m1/s1
InChIKeyMBLRFQZIQHEVJP-DKLJTFSYSA-N
MW400.43 g/mol
LogP0.31
Rot. Bonds6

About N-[(2R,3R,4R,5R,6R)-5-benzamido-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]benzamide

N-[(2R,3R,4R,5R,6R)-5-benzamido-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]benzamide (PubChem CID 54063653) has the molecular formula C21H24N2O6 and a molecular weight of 400.43 g/mol. Its IUPAC name is N-[(2R,3R,4R,5R,6R)-5-benzamido-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]benzamide.

Molecular Properties

Compound NameN-[(2R,3R,4R,5R,6R)-5-benzamido-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]benzamide
PubChem CID54063653
Molecular FormulaC21H24N2O6
Molecular Weight400.43 g/mol
Exact Mass400.16
IUPAC NameN-[(2R,3R,4R,5R,6R)-5-benzamido-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]benzamide
SMILESCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](NC(=O)c2ccccc2)[C@H]1NC(=O)c1ccccc1
InChIInChI=1S/C21H24N2O6/c1-28-21-17(23-20(27)14-10-6-3-7-11-14)16(18(25)15(12-24)29-21)22-19(26)13-8-4-2-5-9-13/h2-11,15-18,21,24-25H,12H2,1H3,(H,22,26)(H,23,27)/t15-,16-,17-,18+,21-/m1/s1
InChIKeyMBLRFQZIQHEVJP-DKLJTFSYSA-N
XLogP0.31
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[(2R,3R,4R,5R,6R)-5-benzamido-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]benzamide with MolForge

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Related Compounds

[(2R,3R,4R,5R,6R)-4,5-dibenzamido-3-hydroxy-6-methoxyoxan-2-yl]methyl methanesulfonate
CID 51055912
N-[2-[[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]amino]-2-oxoethyl]benzamide
CID 102009264
N-[(2S,3R,4S,5R,6R)-2-[(2S,3R,4S,5R,6R)-4-benzamido-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]benzamide
CID 11592187
[(1S,2R,4R,5R,6S)-5-benzamido-4-methoxy-3,7-dioxabicyclo[4.1.0]heptan-2-yl]methyl acetate
CID 7761469
[(2S,3R,4R,5S,6S)-2-(azidomethyl)-5-benzamido-3-hydroxy-6-methoxyoxan-4-yl] methanesulfonate
CID 92840871
5-anilino-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 175827969
N-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide
CID 101008642
N-[(2R,3R,4R,5R)-5-(1,2-dihydroxyethyl)-2,4-dimethoxyoxolan-3-yl]benzamide
CID 51055941
N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-2-phenylmethoxyacetamide
CID 66559910
[2-(aminomethyl)-5-benzamido-4,6-dimethoxyoxan-3-yl] methanesulfonate
CID 3455692
[(2R,3R,4R,5R,6S)-4-benzoyloxy-5-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl] benzoate
CID 101112805
[(3S)-2-(azidomethyl)-5-benzamido-4,6-dimethoxyoxan-3-yl] methanesulfonate
CID 45050103

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4R,5R,6R)-5-benzamido-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]benzamide?
The IUPAC name of N-[(2R,3R,4R,5R,6R)-5-benzamido-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]benzamide (CID 54063653) is N-[(2R,3R,4R,5R,6R)-5-benzamido-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]benzamide.
What is the SMILES notation for N-[(2R,3R,4R,5R,6R)-5-benzamido-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]benzamide?
The canonical SMILES for N-[(2R,3R,4R,5R,6R)-5-benzamido-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]benzamide is CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](NC(=O)c2ccccc2)[C@H]1NC(=O)c1ccccc1.
What is the InChIKey of N-[(2R,3R,4R,5R,6R)-5-benzamido-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]benzamide?
The InChIKey is MBLRFQZIQHEVJP-DKLJTFSYSA-N. The full InChI is InChI=1S/C21H24N2O6/c1-28-21-17(23-20(27)14-10-6-3-7-11-14)16(18(25)15(12-24)29-21)22-19(26)13-8-4-2-5-9-13/h2-11,15-18,21,24-25H,12H2,1H3,(H,22,26)(H,23,27)/t15-,16-,17-,18+,21-/m1/s1.
What are the key properties of N-[(2R,3R,4R,5R,6R)-5-benzamido-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]benzamide?
N-[(2R,3R,4R,5R,6R)-5-benzamido-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]benzamide has a molecular weight of 400.43 g/mol, XLogP of 0.31, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4R,5R,6R)-5-benzamido-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]benzamide is sourced from PubChem (CID 54063653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).