3-[2-[methyl(2-phenylethyl)amino]ethyl]-8-(1H-pyrrole-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C23H30N4O3 — CID 70711147

About 3-[2-[methyl(2-phenylethyl)amino]ethyl]-8-(1H-pyrrole-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-[2-[methyl(2-phenylethyl)amino]ethyl]-8-(1H-pyrrole-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70711147) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 3-[2-[methyl(2-phenylethyl)amino]ethyl]-8-(1H-pyrrole-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 3-[2-[methyl(2-phenylethyl)amino]ethyl]-8-(1H-pyrrole-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• PubChem CID: 70711147
• Molecular Formula: C23H30N4O3
• Molecular Weight: 410.52 g/mol
• Exact Mass: 410.23
• IUPAC Name: 3-[2-[methyl(2-phenylethyl)amino]ethyl]-8-(1H-pyrrole-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• SMILES: CN(CCc1ccccc1)CCN1CC2(CCN(C(=O)c3ccc[nH]3)CC2)OC1=O
• InChI: InChI=1S/C23H30N4O3/c1-25(13-9-19-6-3-2-4-7-19)16-17-27-18-23(30-22(27)29)10-14-26(15-11-23)21(28)20-8-5-12-24-20/h2-8,12,24H,9-11,13-18H2,1H3
• InChIKey: IKJKFIODOFLLDA-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 68.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.52
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-[2-[methyl(2-phenylethyl)amino]ethyl]-8-(1H-pyrrole-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70711147) is 3-[2-[methyl(2-phenylethyl)amino]ethyl]-8-(1H-pyrrole-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

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

The canonical SMILES for 3-[2-[methyl(2-phenylethyl)amino]ethyl]-8-(1H-pyrrole-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CN(CCc1ccccc1)CCN1CC2(CCN(C(=O)c3ccc[nH]3)CC2)OC1=O.

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

The InChIKey is IKJKFIODOFLLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-25(13-9-19-6-3-2-4-7-19)16-17-27-18-23(30-22(27)29)10-14-26(15-11-23)21(28)20-8-5-12-24-20/h2-8,12,24H,9-11,13-18H2,1H3.

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

3-[2-[methyl(2-phenylethyl)amino]ethyl]-8-(1H-pyrrole-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 410.52 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[methyl(2-phenylethyl)amino]ethyl]-8-(1H-pyrrole-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70711147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).