2-(2-hydroxyethyl)-9-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

C22H34N2O3 — CID 70763802

About 2-(2-hydroxyethyl)-9-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

2-(2-hydroxyethyl)-9-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70763802) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-9-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 2-(2-hydroxyethyl)-9-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
• PubChem CID: 70763802
• Molecular Formula: C22H34N2O3
• Molecular Weight: 374.53 g/mol
• Exact Mass: 374.26
• IUPAC Name: 2-(2-hydroxyethyl)-9-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
• SMILES: COc1ccc(C(C)C)cc1CN1CCC2(CCC(=O)N(CCO)C2)CC1
• InChI: InChI=1S/C22H34N2O3/c1-17(2)18-4-5-20(27-3)19(14-18)15-23-10-8-22(9-11-23)7-6-21(26)24(16-22)12-13-25/h4-5,14,17,25H,6-13,15-16H2,1-3H3
• InChIKey: LQCBXJZNITZLOU-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 53.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.53
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-9-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?

The IUPAC name of 2-(2-hydroxyethyl)-9-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 70763802) is 2-(2-hydroxyethyl)-9-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for 2-(2-hydroxyethyl)-9-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for 2-(2-hydroxyethyl)-9-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is COc1ccc(C(C)C)cc1CN1CCC2(CCC(=O)N(CCO)C2)CC1.

What is the InChIKey of 2-(2-hydroxyethyl)-9-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?

The InChIKey is LQCBXJZNITZLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-17(2)18-4-5-20(27-3)19(14-18)15-23-10-8-22(9-11-23)7-6-21(26)24(16-22)12-13-25/h4-5,14,17,25H,6-13,15-16H2,1-3H3.

What are the key properties of 2-(2-hydroxyethyl)-9-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?

2-(2-hydroxyethyl)-9-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 374.53 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-hydroxyethyl)-9-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70763802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).