3-[(3,4-difluorophenyl)methyl]-N-(3-methoxyphenyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide

C22H23F2N3O4 — CID 15942086

About 3-[(3,4-difluorophenyl)methyl]-N-(3-methoxyphenyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide

3-[(3,4-difluorophenyl)methyl]-N-(3-methoxyphenyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 15942086) has the molecular formula C22H23F2N3O4 and a molecular weight of 431.44 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)methyl]-N-(3-methoxyphenyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

• Compound Name: 3-[(3,4-difluorophenyl)methyl]-N-(3-methoxyphenyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
• PubChem CID: 15942086
• Molecular Formula: C22H23F2N3O4
• Molecular Weight: 431.44 g/mol
• Exact Mass: 431.17
• IUPAC Name: 3-[(3,4-difluorophenyl)methyl]-N-(3-methoxyphenyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
• SMILES: COc1cccc(NC(=O)N2CCC3(CC2)CN(Cc2ccc(F)c(F)c2)C(=O)O3)c1
• InChI: InChI=1S/C22H23F2N3O4/c1-30-17-4-2-3-16(12-17)25-20(28)26-9-7-22(8-10-26)14-27(21(29)31-22)13-15-5-6-18(23)19(24)11-15/h2-6,11-12H,7-10,13-14H2,1H3,(H,25,28)
• InChIKey: MFRMGGHUJBSFHN-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.44
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)methyl]-N-(3-methoxyphenyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?

The IUPAC name of 3-[(3,4-difluorophenyl)methyl]-N-(3-methoxyphenyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide (CID 15942086) is 3-[(3,4-difluorophenyl)methyl]-N-(3-methoxyphenyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide.

What is the SMILES notation for 3-[(3,4-difluorophenyl)methyl]-N-(3-methoxyphenyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?

The canonical SMILES for 3-[(3,4-difluorophenyl)methyl]-N-(3-methoxyphenyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide is COc1cccc(NC(=O)N2CCC3(CC2)CN(Cc2ccc(F)c(F)c2)C(=O)O3)c1.

What is the InChIKey of 3-[(3,4-difluorophenyl)methyl]-N-(3-methoxyphenyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?

The InChIKey is MFRMGGHUJBSFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O4/c1-30-17-4-2-3-16(12-17)25-20(28)26-9-7-22(8-10-26)14-27(21(29)31-22)13-15-5-6-18(23)19(24)11-15/h2-6,11-12H,7-10,13-14H2,1H3,(H,25,28).

What are the key properties of 3-[(3,4-difluorophenyl)methyl]-N-(3-methoxyphenyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?

3-[(3,4-difluorophenyl)methyl]-N-(3-methoxyphenyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 431.44 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3,4-difluorophenyl)methyl]-N-(3-methoxyphenyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 15942086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).