2-[2-[[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]amino]-2-oxoethoxy]benzamide

C15H20N2O6 — CID 154566995

IUPAC2-[2-[[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]amino]-2-oxoethoxy]benzamide
SMILESNC(=O)c1ccccc1OCC(=O)N[C@H]1CCO[C@H](CO)[C@H]1O
InChIInChI=1S/C15H20N2O6/c16-15(21)9-3-1-2-4-11(9)23-8-13(19)17-10-5-6-22-12(7-18)14(10)20/h1-4,10,12,14,18,20H,5-8H2,(H2,16,21)(H,17,19)/t10-,12+,14-/m0/s1
InChIKeyBUSIQLPELNTVHD-SUHUHFCYSA-N
MW324.33 g/mol
LogP-1.21
Rot. Bonds6

About 2-[2-[[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]amino]-2-oxoethoxy]benzamide

2-[2-[[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]amino]-2-oxoethoxy]benzamide (PubChem CID 154566995) has the molecular formula C15H20N2O6 and a molecular weight of 324.33 g/mol. Its IUPAC name is 2-[2-[[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]amino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name2-[2-[[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]amino]-2-oxoethoxy]benzamide
PubChem CID154566995
Molecular FormulaC15H20N2O6
Molecular Weight324.33 g/mol
Exact Mass324.13
IUPAC Name2-[2-[[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]amino]-2-oxoethoxy]benzamide
SMILESNC(=O)c1ccccc1OCC(=O)N[C@H]1CCO[C@H](CO)[C@H]1O
InChIInChI=1S/C15H20N2O6/c16-15(21)9-3-1-2-4-11(9)23-8-13(19)17-10-5-6-22-12(7-18)14(10)20/h1-4,10,12,14,18,20H,5-8H2,(H2,16,21)(H,17,19)/t10-,12+,14-/m0/s1
InChIKeyBUSIQLPELNTVHD-SUHUHFCYSA-N
XLogP-1.21
TPSA131.11 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 5-1.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[2-[[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]amino]-2-oxoethoxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]amino]-2-oxoethoxy]benzamide?
The IUPAC name of 2-[2-[[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]amino]-2-oxoethoxy]benzamide (CID 154566995) is 2-[2-[[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]amino]-2-oxoethoxy]benzamide.
What is the SMILES notation for 2-[2-[[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]amino]-2-oxoethoxy]benzamide?
The canonical SMILES for 2-[2-[[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]amino]-2-oxoethoxy]benzamide is NC(=O)c1ccccc1OCC(=O)N[C@H]1CCO[C@H](CO)[C@H]1O.
What is the InChIKey of 2-[2-[[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]amino]-2-oxoethoxy]benzamide?
The InChIKey is BUSIQLPELNTVHD-SUHUHFCYSA-N. The full InChI is InChI=1S/C15H20N2O6/c16-15(21)9-3-1-2-4-11(9)23-8-13(19)17-10-5-6-22-12(7-18)14(10)20/h1-4,10,12,14,18,20H,5-8H2,(H2,16,21)(H,17,19)/t10-,12+,14-/m0/s1.
What are the key properties of 2-[2-[[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]amino]-2-oxoethoxy]benzamide?
2-[2-[[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]amino]-2-oxoethoxy]benzamide has a molecular weight of 324.33 g/mol, XLogP of -1.21, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]amino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 154566995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).