N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)acetamide

C19H27N3O5 — CID 70714919

About N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)acetamide

N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)acetamide (PubChem CID 70714919) has the molecular formula C19H27N3O5 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)acetamide.

Molecular Properties

• Compound Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)acetamide
• PubChem CID: 70714919
• Molecular Formula: C19H27N3O5
• Molecular Weight: 377.44 g/mol
• Exact Mass: 377.20
• IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)acetamide
• SMILES: COc1ccc(CNC(=O)CN2CCC3(CC2)CN(C)C(=O)O3)cc1OC
• InChI: InChI=1S/C19H27N3O5/c1-21-13-19(27-18(21)24)6-8-22(9-7-19)12-17(23)20-11-14-4-5-15(25-2)16(10-14)26-3/h4-5,10H,6-9,11-13H2,1-3H3,(H,20,23)
• InChIKey: YXHAGWBQAWZQHK-UHFFFAOYSA-N
• XLogP: 1.24
• TPSA: 80.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.44
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)acetamide?

The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)acetamide (CID 70714919) is N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)acetamide.

What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)acetamide?

The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)acetamide is COc1ccc(CNC(=O)CN2CCC3(CC2)CN(C)C(=O)O3)cc1OC.

What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)acetamide?

The InChIKey is YXHAGWBQAWZQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5/c1-21-13-19(27-18(21)24)6-8-22(9-7-19)12-17(23)20-11-14-4-5-15(25-2)16(10-14)26-3/h4-5,10H,6-9,11-13H2,1-3H3,(H,20,23).

What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)acetamide?

N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)acetamide has a molecular weight of 377.44 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)acetamide is sourced from PubChem (CID 70714919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).