(2S)-2-(2-cyanophenoxy)-N-[(2S)-oxan-2-yl]oxypropanamide

C15H18N2O4 — CID 94817241

IUPAC(2S)-2-(2-cyanophenoxy)-N-[(2S)-oxan-2-yl]oxypropanamide
SMILESC[C@H](Oc1ccccc1C#N)C(=O)NO[C@H]1CCCCO1
InChIInChI=1S/C15H18N2O4/c1-11(20-13-7-3-2-6-12(13)10-16)15(18)17-21-14-8-4-5-9-19-14/h2-3,6-7,11,14H,4-5,8-9H2,1H3,(H,17,18)/t11-,14-/m0/s1
InChIKeyGDKIAGXNSOSHGW-FZMZJTMJSA-N
MW290.32 g/mol
LogP1.90
Rot. Bonds5

About (2S)-2-(2-cyanophenoxy)-N-[(2S)-oxan-2-yl]oxypropanamide

(2S)-2-(2-cyanophenoxy)-N-[(2S)-oxan-2-yl]oxypropanamide (PubChem CID 94817241) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is (2S)-2-(2-cyanophenoxy)-N-[(2S)-oxan-2-yl]oxypropanamide.

Molecular Properties

Compound Name(2S)-2-(2-cyanophenoxy)-N-[(2S)-oxan-2-yl]oxypropanamide
PubChem CID94817241
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name(2S)-2-(2-cyanophenoxy)-N-[(2S)-oxan-2-yl]oxypropanamide
SMILESC[C@H](Oc1ccccc1C#N)C(=O)NO[C@H]1CCCCO1
InChIInChI=1S/C15H18N2O4/c1-11(20-13-7-3-2-6-12(13)10-16)15(18)17-21-14-8-4-5-9-19-14/h2-3,6-7,11,14H,4-5,8-9H2,1H3,(H,17,18)/t11-,14-/m0/s1
InChIKeyGDKIAGXNSOSHGW-FZMZJTMJSA-N
XLogP1.90
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-2-(2-cyanophenoxy)-N-[(2S)-oxan-2-yl]oxypropanamide 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 (2S)-2-(2-cyanophenoxy)-N-[(2S)-oxan-2-yl]oxypropanamide?
The IUPAC name of (2S)-2-(2-cyanophenoxy)-N-[(2S)-oxan-2-yl]oxypropanamide (CID 94817241) is (2S)-2-(2-cyanophenoxy)-N-[(2S)-oxan-2-yl]oxypropanamide.
What is the SMILES notation for (2S)-2-(2-cyanophenoxy)-N-[(2S)-oxan-2-yl]oxypropanamide?
The canonical SMILES for (2S)-2-(2-cyanophenoxy)-N-[(2S)-oxan-2-yl]oxypropanamide is C[C@H](Oc1ccccc1C#N)C(=O)NO[C@H]1CCCCO1.
What is the InChIKey of (2S)-2-(2-cyanophenoxy)-N-[(2S)-oxan-2-yl]oxypropanamide?
The InChIKey is GDKIAGXNSOSHGW-FZMZJTMJSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-11(20-13-7-3-2-6-12(13)10-16)15(18)17-21-14-8-4-5-9-19-14/h2-3,6-7,11,14H,4-5,8-9H2,1H3,(H,17,18)/t11-,14-/m0/s1.
What are the key properties of (2S)-2-(2-cyanophenoxy)-N-[(2S)-oxan-2-yl]oxypropanamide?
(2S)-2-(2-cyanophenoxy)-N-[(2S)-oxan-2-yl]oxypropanamide has a molecular weight of 290.32 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-cyanophenoxy)-N-[(2S)-oxan-2-yl]oxypropanamide is sourced from PubChem (CID 94817241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).