3-[2-[methyl(2-phenylethyl)amino]ethyl]-8-[(3S)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C22H33N3O3 — CID 95860803

About 3-[2-[methyl(2-phenylethyl)amino]ethyl]-8-[(3S)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-[2-[methyl(2-phenylethyl)amino]ethyl]-8-[(3S)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 95860803) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is 3-[2-[methyl(2-phenylethyl)amino]ethyl]-8-[(3S)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 3-[2-[methyl(2-phenylethyl)amino]ethyl]-8-[(3S)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• PubChem CID: 95860803
• Molecular Formula: C22H33N3O3
• Molecular Weight: 387.52 g/mol
• Exact Mass: 387.25
• IUPAC Name: 3-[2-[methyl(2-phenylethyl)amino]ethyl]-8-[(3S)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• SMILES: CN(CCc1ccccc1)CCN1CC2(CCN([C@H]3CCOC3)CC2)OC1=O
• InChI: InChI=1S/C22H33N3O3/c1-23(11-7-19-5-3-2-4-6-19)14-15-25-18-22(28-21(25)26)9-12-24(13-10-22)20-8-16-27-17-20/h2-6,20H,7-18H2,1H3/t20-/m0/s1
• InChIKey: ZIFHUXTYZOKLCQ-FQEVSTJZSA-N
• XLogP: 2.24
• TPSA: 45.25 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.52
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[2-[methyl(2-phenylethyl)amino]ethyl]-8-[(3S)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The IUPAC name of 3-[2-[methyl(2-phenylethyl)amino]ethyl]-8-[(3S)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 95860803) is 3-[2-[methyl(2-phenylethyl)amino]ethyl]-8-[(3S)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for 3-[2-[methyl(2-phenylethyl)amino]ethyl]-8-[(3S)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The canonical SMILES for 3-[2-[methyl(2-phenylethyl)amino]ethyl]-8-[(3S)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CN(CCc1ccccc1)CCN1CC2(CCN([C@H]3CCOC3)CC2)OC1=O.

What is the InChIKey of 3-[2-[methyl(2-phenylethyl)amino]ethyl]-8-[(3S)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The InChIKey is ZIFHUXTYZOKLCQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-23(11-7-19-5-3-2-4-6-19)14-15-25-18-22(28-21(25)26)9-12-24(13-10-22)20-8-16-27-17-20/h2-6,20H,7-18H2,1H3/t20-/m0/s1.

What are the key properties of 3-[2-[methyl(2-phenylethyl)amino]ethyl]-8-[(3S)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

3-[2-[methyl(2-phenylethyl)amino]ethyl]-8-[(3S)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 387.52 g/mol, XLogP of 2.24, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[methyl(2-phenylethyl)amino]ethyl]-8-[(3S)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 95860803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).