N-[(2R,3R,4R,5R)-5-(1,2-dihydroxyethyl)-2,4-dimethoxyoxolan-3-yl]benzamide

C15H21NO6 — CID 51055941

IUPACN-[(2R,3R,4R,5R)-5-(1,2-dihydroxyethyl)-2,4-dimethoxyoxolan-3-yl]benzamide
SMILESCO[C@@H]1O[C@H](C(O)CO)[C@H](OC)[C@H]1NC(=O)c1ccccc1
InChIInChI=1S/C15H21NO6/c1-20-13-11(15(21-2)22-12(13)10(18)8-17)16-14(19)9-6-4-3-5-7-9/h3-7,10-13,15,17-18H,8H2,1-2H3,(H,16,19)/t10?,11-,12-,13-,15-/m1/s1
InChIKeyLVPAHMMAVYGZDM-JPHAVLJQSA-N
MW311.33 g/mol
LogP-0.48
Rot. Bonds6

About N-[(2R,3R,4R,5R)-5-(1,2-dihydroxyethyl)-2,4-dimethoxyoxolan-3-yl]benzamide

N-[(2R,3R,4R,5R)-5-(1,2-dihydroxyethyl)-2,4-dimethoxyoxolan-3-yl]benzamide (PubChem CID 51055941) has the molecular formula C15H21NO6 and a molecular weight of 311.33 g/mol. Its IUPAC name is N-[(2R,3R,4R,5R)-5-(1,2-dihydroxyethyl)-2,4-dimethoxyoxolan-3-yl]benzamide.

Molecular Properties

Compound NameN-[(2R,3R,4R,5R)-5-(1,2-dihydroxyethyl)-2,4-dimethoxyoxolan-3-yl]benzamide
PubChem CID51055941
Molecular FormulaC15H21NO6
Molecular Weight311.33 g/mol
Exact Mass311.14
IUPAC NameN-[(2R,3R,4R,5R)-5-(1,2-dihydroxyethyl)-2,4-dimethoxyoxolan-3-yl]benzamide
SMILESCO[C@@H]1O[C@H](C(O)CO)[C@H](OC)[C@H]1NC(=O)c1ccccc1
InChIInChI=1S/C15H21NO6/c1-20-13-11(15(21-2)22-12(13)10(18)8-17)16-14(19)9-6-4-3-5-7-9/h3-7,10-13,15,17-18H,8H2,1-2H3,(H,16,19)/t10?,11-,12-,13-,15-/m1/s1
InChIKeyLVPAHMMAVYGZDM-JPHAVLJQSA-N
XLogP-0.48
TPSA97.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4R,5R)-5-(1,2-dihydroxyethyl)-2,4-dimethoxyoxolan-3-yl]benzamide?
The IUPAC name of N-[(2R,3R,4R,5R)-5-(1,2-dihydroxyethyl)-2,4-dimethoxyoxolan-3-yl]benzamide (CID 51055941) is N-[(2R,3R,4R,5R)-5-(1,2-dihydroxyethyl)-2,4-dimethoxyoxolan-3-yl]benzamide.
What is the SMILES notation for N-[(2R,3R,4R,5R)-5-(1,2-dihydroxyethyl)-2,4-dimethoxyoxolan-3-yl]benzamide?
The canonical SMILES for N-[(2R,3R,4R,5R)-5-(1,2-dihydroxyethyl)-2,4-dimethoxyoxolan-3-yl]benzamide is CO[C@@H]1O[C@H](C(O)CO)[C@H](OC)[C@H]1NC(=O)c1ccccc1.
What is the InChIKey of N-[(2R,3R,4R,5R)-5-(1,2-dihydroxyethyl)-2,4-dimethoxyoxolan-3-yl]benzamide?
The InChIKey is LVPAHMMAVYGZDM-JPHAVLJQSA-N. The full InChI is InChI=1S/C15H21NO6/c1-20-13-11(15(21-2)22-12(13)10(18)8-17)16-14(19)9-6-4-3-5-7-9/h3-7,10-13,15,17-18H,8H2,1-2H3,(H,16,19)/t10?,11-,12-,13-,15-/m1/s1.
What are the key properties of N-[(2R,3R,4R,5R)-5-(1,2-dihydroxyethyl)-2,4-dimethoxyoxolan-3-yl]benzamide?
N-[(2R,3R,4R,5R)-5-(1,2-dihydroxyethyl)-2,4-dimethoxyoxolan-3-yl]benzamide has a molecular weight of 311.33 g/mol, XLogP of -0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4R,5R)-5-(1,2-dihydroxyethyl)-2,4-dimethoxyoxolan-3-yl]benzamide is sourced from PubChem (CID 51055941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).