9-hydroxy-N-(3-methoxypropyl)-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclopentane]-2-carboxamide

C21H27NO5 — CID 20916500

About 9-hydroxy-N-(3-methoxypropyl)-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclopentane]-2-carboxamide

9-hydroxy-N-(3-methoxypropyl)-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclopentane]-2-carboxamide (PubChem CID 20916500) has the molecular formula C21H27NO5 and a molecular weight of 373.45 g/mol. Its IUPAC name is 9-hydroxy-N-(3-methoxypropyl)-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclopentane]-2-carboxamide.

Molecular Properties

• Compound Name: 9-hydroxy-N-(3-methoxypropyl)-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclopentane]-2-carboxamide
• PubChem CID: 20916500
• Molecular Formula: C21H27NO5
• Molecular Weight: 373.45 g/mol
• Exact Mass: 373.19
• IUPAC Name: 9-hydroxy-N-(3-methoxypropyl)-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclopentane]-2-carboxamide
• SMILES: COCCCNC(=O)c1oc2ccc3c(c2c1C)C(O)CC1(CCCC1)O3
• InChI: InChI=1S/C21H27NO5/c1-13-17-15(26-19(13)20(24)22-10-5-11-25-2)6-7-16-18(17)14(23)12-21(27-16)8-3-4-9-21/h6-7,14,23H,3-5,8-12H2,1-2H3,(H,22,24)
• InChIKey: PYWKYGFCTPHFNK-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 80.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.45
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-N-(3-methoxypropyl)-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclopentane]-2-carboxamide?

The IUPAC name of 9-hydroxy-N-(3-methoxypropyl)-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclopentane]-2-carboxamide (CID 20916500) is 9-hydroxy-N-(3-methoxypropyl)-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclopentane]-2-carboxamide.

What is the SMILES notation for 9-hydroxy-N-(3-methoxypropyl)-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclopentane]-2-carboxamide?

The canonical SMILES for 9-hydroxy-N-(3-methoxypropyl)-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclopentane]-2-carboxamide is COCCCNC(=O)c1oc2ccc3c(c2c1C)C(O)CC1(CCCC1)O3.

What is the InChIKey of 9-hydroxy-N-(3-methoxypropyl)-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclopentane]-2-carboxamide?

The InChIKey is PYWKYGFCTPHFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO5/c1-13-17-15(26-19(13)20(24)22-10-5-11-25-2)6-7-16-18(17)14(23)12-21(27-16)8-3-4-9-21/h6-7,14,23H,3-5,8-12H2,1-2H3,(H,22,24).

What are the key properties of 9-hydroxy-N-(3-methoxypropyl)-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclopentane]-2-carboxamide?

9-hydroxy-N-(3-methoxypropyl)-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclopentane]-2-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-hydroxy-N-(3-methoxypropyl)-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclopentane]-2-carboxamide is sourced from PubChem (CID 20916500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).