N-[2-(3,5-dimethoxyphenyl)ethyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide

C19H27N3O5 — CID 119066807

About N-[2-(3,5-dimethoxyphenyl)ethyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide

N-[2-(3,5-dimethoxyphenyl)ethyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide (PubChem CID 119066807) has the molecular formula C19H27N3O5 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[2-(3,5-dimethoxyphenyl)ethyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide.

Molecular Properties

• Compound Name: N-[2-(3,5-dimethoxyphenyl)ethyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
• PubChem CID: 119066807
• Molecular Formula: C19H27N3O5
• Molecular Weight: 377.44 g/mol
• Exact Mass: 377.20
• IUPAC Name: N-[2-(3,5-dimethoxyphenyl)ethyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
• SMILES: COc1cc(CCNC(=O)N2CCCC3(CC2)CNC(=O)O3)cc(OC)c1
• InChI: InChI=1S/C19H27N3O5/c1-25-15-10-14(11-16(12-15)26-2)4-7-20-17(23)22-8-3-5-19(6-9-22)13-21-18(24)27-19/h10-12H,3-9,13H2,1-2H3,(H,20,23)(H,21,24)
• InChIKey: GDZQJRRFDVDSNZ-UHFFFAOYSA-N
• XLogP: 1.92
• TPSA: 89.13 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	377.44
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethoxyphenyl)ethyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide?

The IUPAC name of N-[2-(3,5-dimethoxyphenyl)ethyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide (CID 119066807) is N-[2-(3,5-dimethoxyphenyl)ethyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide.

What is the SMILES notation for N-[2-(3,5-dimethoxyphenyl)ethyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide?

The canonical SMILES for N-[2-(3,5-dimethoxyphenyl)ethyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide is COc1cc(CCNC(=O)N2CCCC3(CC2)CNC(=O)O3)cc(OC)c1.

What is the InChIKey of N-[2-(3,5-dimethoxyphenyl)ethyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide?

The InChIKey is GDZQJRRFDVDSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5/c1-25-15-10-14(11-16(12-15)26-2)4-7-20-17(23)22-8-3-5-19(6-9-22)13-21-18(24)27-19/h10-12H,3-9,13H2,1-2H3,(H,20,23)(H,21,24).

What are the key properties of N-[2-(3,5-dimethoxyphenyl)ethyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide?

N-[2-(3,5-dimethoxyphenyl)ethyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3,5-dimethoxyphenyl)ethyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide is sourced from PubChem (CID 119066807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).