N-(3-chloro-4-methoxyphenyl)-6-[[3-(2-hydroxyethoxy)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide

C24H29ClN2O4 — CID 126463182

About N-(3-chloro-4-methoxyphenyl)-6-[[3-(2-hydroxyethoxy)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide

N-(3-chloro-4-methoxyphenyl)-6-[[3-(2-hydroxyethoxy)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 126463182) has the molecular formula C24H29ClN2O4 and a molecular weight of 444.96 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-6-[[3-(2-hydroxyethoxy)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

• Compound Name: N-(3-chloro-4-methoxyphenyl)-6-[[3-(2-hydroxyethoxy)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
• PubChem CID: 126463182
• Molecular Formula: C24H29ClN2O4
• Molecular Weight: 444.96 g/mol
• Exact Mass: 444.18
• IUPAC Name: N-(3-chloro-4-methoxyphenyl)-6-[[3-(2-hydroxyethoxy)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
• SMILES: COc1ccc(NC(=O)C2CC23CCN(Cc2cccc(OCCO)c2)CC3)cc1Cl
• InChI: InChI=1S/C24H29ClN2O4/c1-30-22-6-5-18(14-21(22)25)26-23(29)20-15-24(20)7-9-27(10-8-24)16-17-3-2-4-19(13-17)31-12-11-28/h2-6,13-14,20,28H,7-12,15-16H2,1H3,(H,26,29)
• InChIKey: GKFLJCWYPPNQOB-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 71.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.96
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-[[3-(2-hydroxyethoxy)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide?

The IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-[[3-(2-hydroxyethoxy)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 126463182) is N-(3-chloro-4-methoxyphenyl)-6-[[3-(2-hydroxyethoxy)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide.

What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-6-[[3-(2-hydroxyethoxy)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide?

The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-6-[[3-(2-hydroxyethoxy)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide is COc1ccc(NC(=O)C2CC23CCN(Cc2cccc(OCCO)c2)CC3)cc1Cl.

What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-6-[[3-(2-hydroxyethoxy)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide?

The InChIKey is GKFLJCWYPPNQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O4/c1-30-22-6-5-18(14-21(22)25)26-23(29)20-15-24(20)7-9-27(10-8-24)16-17-3-2-4-19(13-17)31-12-11-28/h2-6,13-14,20,28H,7-12,15-16H2,1H3,(H,26,29).

What are the key properties of N-(3-chloro-4-methoxyphenyl)-6-[[3-(2-hydroxyethoxy)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide?

N-(3-chloro-4-methoxyphenyl)-6-[[3-(2-hydroxyethoxy)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 444.96 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-4-methoxyphenyl)-6-[[3-(2-hydroxyethoxy)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 126463182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).