(5R)-7-(furan-3-ylmethyl)-N-[(2R)-2-phenylpropyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

C21H25N3O3 — CID 97491469

About (5R)-7-(furan-3-ylmethyl)-N-[(2R)-2-phenylpropyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

(5R)-7-(furan-3-ylmethyl)-N-[(2R)-2-phenylpropyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 97491469) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is (5R)-7-(furan-3-ylmethyl)-N-[(2R)-2-phenylpropyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

• Compound Name: (5R)-7-(furan-3-ylmethyl)-N-[(2R)-2-phenylpropyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
• PubChem CID: 97491469
• Molecular Formula: C21H25N3O3
• Molecular Weight: 367.45 g/mol
• Exact Mass: 367.19
• IUPAC Name: (5R)-7-(furan-3-ylmethyl)-N-[(2R)-2-phenylpropyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
• SMILES: C[C@@H](CNC(=O)C1=NO[C@]2(CCN(Cc3ccoc3)C2)C1)c1ccccc1
• InChI: InChI=1S/C21H25N3O3/c1-16(18-5-3-2-4-6-18)12-22-20(25)19-11-21(27-23-19)8-9-24(15-21)13-17-7-10-26-14-17/h2-7,10,14,16H,8-9,11-13,15H2,1H3,(H,22,25)/t16-,21+/m0/s1
• InChIKey: YBHZOCCRHFCMBX-HRAATJIYSA-N
• XLogP: 2.92
• TPSA: 67.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.45
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5R)-7-(furan-3-ylmethyl)-N-[(2R)-2-phenylpropyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The IUPAC name of (5R)-7-(furan-3-ylmethyl)-N-[(2R)-2-phenylpropyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 97491469) is (5R)-7-(furan-3-ylmethyl)-N-[(2R)-2-phenylpropyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

What is the SMILES notation for (5R)-7-(furan-3-ylmethyl)-N-[(2R)-2-phenylpropyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The canonical SMILES for (5R)-7-(furan-3-ylmethyl)-N-[(2R)-2-phenylpropyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is C[C@@H](CNC(=O)C1=NO[C@]2(CCN(Cc3ccoc3)C2)C1)c1ccccc1.

What is the InChIKey of (5R)-7-(furan-3-ylmethyl)-N-[(2R)-2-phenylpropyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The InChIKey is YBHZOCCRHFCMBX-HRAATJIYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-16(18-5-3-2-4-6-18)12-22-20(25)19-11-21(27-23-19)8-9-24(15-21)13-17-7-10-26-14-17/h2-7,10,14,16H,8-9,11-13,15H2,1H3,(H,22,25)/t16-,21+/m0/s1.

What are the key properties of (5R)-7-(furan-3-ylmethyl)-N-[(2R)-2-phenylpropyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

(5R)-7-(furan-3-ylmethyl)-N-[(2R)-2-phenylpropyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-7-(furan-3-ylmethyl)-N-[(2R)-2-phenylpropyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 97491469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).