(3-methoxyphenyl)-[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone

C24H30N2O3 — CID 97482722

About (3-methoxyphenyl)-[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone

(3-methoxyphenyl)-[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone (PubChem CID 97482722) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is (3-methoxyphenyl)-[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

• Compound Name: (3-methoxyphenyl)-[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
• PubChem CID: 97482722
• Molecular Formula: C24H30N2O3
• Molecular Weight: 394.52 g/mol
• Exact Mass: 394.23
• IUPAC Name: (3-methoxyphenyl)-[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
• SMILES: COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4cccc(OC)c4)C3)C2)c1
• InChI: InChI=1S/C24H30N2O3/c1-28-21-8-3-6-19(14-21)16-25-12-5-10-24(17-25)11-13-26(18-24)23(27)20-7-4-9-22(15-20)29-2/h3-4,6-9,14-15H,5,10-13,16-18H2,1-2H3/t24-/m0/s1
• InChIKey: RCWULEUEKRFAIO-DEOSSOPVSA-N
• XLogP: 3.83
• TPSA: 42.01 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.52
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone?

The IUPAC name of (3-methoxyphenyl)-[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone (CID 97482722) is (3-methoxyphenyl)-[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone.

What is the SMILES notation for (3-methoxyphenyl)-[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone?

The canonical SMILES for (3-methoxyphenyl)-[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone is COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4cccc(OC)c4)C3)C2)c1.

What is the InChIKey of (3-methoxyphenyl)-[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone?

The InChIKey is RCWULEUEKRFAIO-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-28-21-8-3-6-19(14-21)16-25-12-5-10-24(17-25)11-13-26(18-24)23(27)20-7-4-9-22(15-20)29-2/h3-4,6-9,14-15H,5,10-13,16-18H2,1-2H3/t24-/m0/s1.

What are the key properties of (3-methoxyphenyl)-[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone?

(3-methoxyphenyl)-[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone has a molecular weight of 394.52 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3-methoxyphenyl)-[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 97482722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).