3,4-dimethoxy-N-[(3S)-2-oxooxolan-3-yl]benzamide

C13H15NO5 — CID 90061740

IUPAC3,4-dimethoxy-N-[(3S)-2-oxooxolan-3-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@H]2CCOC2=O)cc1OC
InChIInChI=1S/C13H15NO5/c1-17-10-4-3-8(7-11(10)18-2)12(15)14-9-5-6-19-13(9)16/h3-4,7,9H,5-6H2,1-2H3,(H,14,15)/t9-/m0/s1
InChIKeyGOYUJPBPRCJFDH-VIFPVBQESA-N
MW265.26 g/mol
LogP0.75
Rot. Bonds4

About 3,4-dimethoxy-N-[(3S)-2-oxooxolan-3-yl]benzamide

3,4-dimethoxy-N-[(3S)-2-oxooxolan-3-yl]benzamide (PubChem CID 90061740) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(3S)-2-oxooxolan-3-yl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(3S)-2-oxooxolan-3-yl]benzamide
PubChem CID90061740
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name3,4-dimethoxy-N-[(3S)-2-oxooxolan-3-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@H]2CCOC2=O)cc1OC
InChIInChI=1S/C13H15NO5/c1-17-10-4-3-8(7-11(10)18-2)12(15)14-9-5-6-19-13(9)16/h3-4,7,9H,5-6H2,1-2H3,(H,14,15)/t9-/m0/s1
InChIKeyGOYUJPBPRCJFDH-VIFPVBQESA-N
XLogP0.75
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(3S)-2-oxooxolan-3-yl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[(3S)-2-oxooxolan-3-yl]benzamide (CID 90061740) is 3,4-dimethoxy-N-[(3S)-2-oxooxolan-3-yl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(3S)-2-oxooxolan-3-yl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[(3S)-2-oxooxolan-3-yl]benzamide is COc1ccc(C(=O)N[C@H]2CCOC2=O)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[(3S)-2-oxooxolan-3-yl]benzamide?
The InChIKey is GOYUJPBPRCJFDH-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15NO5/c1-17-10-4-3-8(7-11(10)18-2)12(15)14-9-5-6-19-13(9)16/h3-4,7,9H,5-6H2,1-2H3,(H,14,15)/t9-/m0/s1.
What are the key properties of 3,4-dimethoxy-N-[(3S)-2-oxooxolan-3-yl]benzamide?
3,4-dimethoxy-N-[(3S)-2-oxooxolan-3-yl]benzamide has a molecular weight of 265.26 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[(3S)-2-oxooxolan-3-yl]benzamide is sourced from PubChem (CID 90061740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).