2-[9-[(3-hydroxy-4-methoxyphenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide

C19H27N3O4 — CID 70717213

About 2-[9-[(3-hydroxy-4-methoxyphenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide

2-[9-[(3-hydroxy-4-methoxyphenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide (PubChem CID 70717213) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 2-[9-[(3-hydroxy-4-methoxyphenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[9-[(3-hydroxy-4-methoxyphenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
• PubChem CID: 70717213
• Molecular Formula: C19H27N3O4
• Molecular Weight: 361.44 g/mol
• Exact Mass: 361.20
• IUPAC Name: 2-[9-[(3-hydroxy-4-methoxyphenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
• SMILES: COc1ccc(CN2CCC3(CCC(=O)N(CC(N)=O)C3)CC2)cc1O
• InChI: InChI=1S/C19H27N3O4/c1-26-16-3-2-14(10-15(16)23)11-21-8-6-19(7-9-21)5-4-18(25)22(13-19)12-17(20)24/h2-3,10,23H,4-9,11-13H2,1H3,(H2,20,24)
• InChIKey: MIXVAMFYYLQJAR-UHFFFAOYSA-N
• XLogP: 1.09
• TPSA: 96.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.44
LogP ≤ 5	1.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[9-[(3-hydroxy-4-methoxyphenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide?

The IUPAC name of 2-[9-[(3-hydroxy-4-methoxyphenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide (CID 70717213) is 2-[9-[(3-hydroxy-4-methoxyphenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide.

What is the SMILES notation for 2-[9-[(3-hydroxy-4-methoxyphenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide?

The canonical SMILES for 2-[9-[(3-hydroxy-4-methoxyphenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide is COc1ccc(CN2CCC3(CCC(=O)N(CC(N)=O)C3)CC2)cc1O.

What is the InChIKey of 2-[9-[(3-hydroxy-4-methoxyphenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide?

The InChIKey is MIXVAMFYYLQJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-26-16-3-2-14(10-15(16)23)11-21-8-6-19(7-9-21)5-4-18(25)22(13-19)12-17(20)24/h2-3,10,23H,4-9,11-13H2,1H3,(H2,20,24).

What are the key properties of 2-[9-[(3-hydroxy-4-methoxyphenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide?

2-[9-[(3-hydroxy-4-methoxyphenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide has a molecular weight of 361.44 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9-[(3-hydroxy-4-methoxyphenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide is sourced from PubChem (CID 70717213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).