N-[(3R)-3-[(2S,3R,4R)-5-ethoxy-3,4-dihydroxyoxolan-2-yl]-3-hydroxypropyl]benzamide

C16H23NO6 — CID 101266359

IUPACN-[(3R)-3-[(2S,3R,4R)-5-ethoxy-3,4-dihydroxyoxolan-2-yl]-3-hydroxypropyl]benzamide
SMILESCCOC1O[C@@H]([C@H](O)CCNC(=O)c2ccccc2)[C@H](O)[C@H]1O
InChIInChI=1S/C16H23NO6/c1-2-22-16-13(20)12(19)14(23-16)11(18)8-9-17-15(21)10-6-4-3-5-7-10/h3-7,11-14,16,18-20H,2,8-9H2,1H3,(H,17,21)/t11-,12-,13-,14+,16?/m1/s1
InChIKeyWJNMOIFMAJJCKX-NCNLWLMDSA-N
MW325.36 g/mol
LogP-0.35
Rot. Bonds7

About N-[(3R)-3-[(2S,3R,4R)-5-ethoxy-3,4-dihydroxyoxolan-2-yl]-3-hydroxypropyl]benzamide

N-[(3R)-3-[(2S,3R,4R)-5-ethoxy-3,4-dihydroxyoxolan-2-yl]-3-hydroxypropyl]benzamide (PubChem CID 101266359) has the molecular formula C16H23NO6 and a molecular weight of 325.36 g/mol. Its IUPAC name is N-[(3R)-3-[(2S,3R,4R)-5-ethoxy-3,4-dihydroxyoxolan-2-yl]-3-hydroxypropyl]benzamide.

Molecular Properties

Compound NameN-[(3R)-3-[(2S,3R,4R)-5-ethoxy-3,4-dihydroxyoxolan-2-yl]-3-hydroxypropyl]benzamide
PubChem CID101266359
Molecular FormulaC16H23NO6
Molecular Weight325.36 g/mol
Exact Mass325.15
IUPAC NameN-[(3R)-3-[(2S,3R,4R)-5-ethoxy-3,4-dihydroxyoxolan-2-yl]-3-hydroxypropyl]benzamide
SMILESCCOC1O[C@@H]([C@H](O)CCNC(=O)c2ccccc2)[C@H](O)[C@H]1O
InChIInChI=1S/C16H23NO6/c1-2-22-16-13(20)12(19)14(23-16)11(18)8-9-17-15(21)10-6-4-3-5-7-10/h3-7,11-14,16,18-20H,2,8-9H2,1H3,(H,17,21)/t11-,12-,13-,14+,16?/m1/s1
InChIKeyWJNMOIFMAJJCKX-NCNLWLMDSA-N
XLogP-0.35
TPSA108.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 5-0.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-[(2S,3R,4R)-5-ethoxy-3,4-dihydroxyoxolan-2-yl]-3-hydroxypropyl]benzamide?
The IUPAC name of N-[(3R)-3-[(2S,3R,4R)-5-ethoxy-3,4-dihydroxyoxolan-2-yl]-3-hydroxypropyl]benzamide (CID 101266359) is N-[(3R)-3-[(2S,3R,4R)-5-ethoxy-3,4-dihydroxyoxolan-2-yl]-3-hydroxypropyl]benzamide.
What is the SMILES notation for N-[(3R)-3-[(2S,3R,4R)-5-ethoxy-3,4-dihydroxyoxolan-2-yl]-3-hydroxypropyl]benzamide?
The canonical SMILES for N-[(3R)-3-[(2S,3R,4R)-5-ethoxy-3,4-dihydroxyoxolan-2-yl]-3-hydroxypropyl]benzamide is CCOC1O[C@@H]([C@H](O)CCNC(=O)c2ccccc2)[C@H](O)[C@H]1O.
What is the InChIKey of N-[(3R)-3-[(2S,3R,4R)-5-ethoxy-3,4-dihydroxyoxolan-2-yl]-3-hydroxypropyl]benzamide?
The InChIKey is WJNMOIFMAJJCKX-NCNLWLMDSA-N. The full InChI is InChI=1S/C16H23NO6/c1-2-22-16-13(20)12(19)14(23-16)11(18)8-9-17-15(21)10-6-4-3-5-7-10/h3-7,11-14,16,18-20H,2,8-9H2,1H3,(H,17,21)/t11-,12-,13-,14+,16?/m1/s1.
What are the key properties of N-[(3R)-3-[(2S,3R,4R)-5-ethoxy-3,4-dihydroxyoxolan-2-yl]-3-hydroxypropyl]benzamide?
N-[(3R)-3-[(2S,3R,4R)-5-ethoxy-3,4-dihydroxyoxolan-2-yl]-3-hydroxypropyl]benzamide has a molecular weight of 325.36 g/mol, XLogP of -0.35, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-[(2S,3R,4R)-5-ethoxy-3,4-dihydroxyoxolan-2-yl]-3-hydroxypropyl]benzamide is sourced from PubChem (CID 101266359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).