3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione

C20H27ClN2O4 — CID 51223018

About 3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione

3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione (PubChem CID 51223018) has the molecular formula C20H27ClN2O4 and a molecular weight of 394.90 g/mol. Its IUPAC name is 3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione.

Molecular Properties

• Compound Name: 3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
• PubChem CID: 51223018
• Molecular Formula: C20H27ClN2O4
• Molecular Weight: 394.90 g/mol
• Exact Mass: 394.17
• IUPAC Name: 3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
• SMILES: O=C1NC2(CCCCCCC2)C(=O)N1CC(O)COCc1ccccc1Cl
• InChI: InChI=1S/C20H27ClN2O4/c21-17-9-5-4-8-15(17)13-27-14-16(24)12-23-18(25)20(22-19(23)26)10-6-2-1-3-7-11-20/h4-5,8-9,16,24H,1-3,6-7,10-14H2,(H,22,26)
• InChIKey: QLANEKRXPMVXNV-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 78.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.90
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?

The IUPAC name of 3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione (CID 51223018) is 3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione.

What is the SMILES notation for 3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?

The canonical SMILES for 3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione is O=C1NC2(CCCCCCC2)C(=O)N1CC(O)COCc1ccccc1Cl.

What is the InChIKey of 3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?

The InChIKey is QLANEKRXPMVXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O4/c21-17-9-5-4-8-15(17)13-27-14-16(24)12-23-18(25)20(22-19(23)26)10-6-2-1-3-7-11-20/h4-5,8-9,16,24H,1-3,6-7,10-14H2,(H,22,26).

What are the key properties of 3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?

3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione has a molecular weight of 394.90 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione is sourced from PubChem (CID 51223018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).