N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-oxo-2-azaspiro[4.5]decane-8-carboxamide

C22H31N3O3 — CID 166285273

About N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-oxo-2-azaspiro[4.5]decane-8-carboxamide

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-oxo-2-azaspiro[4.5]decane-8-carboxamide (PubChem CID 166285273) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-oxo-2-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

• Compound Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-oxo-2-azaspiro[4.5]decane-8-carboxamide
• PubChem CID: 166285273
• Molecular Formula: C22H31N3O3
• Molecular Weight: 385.51 g/mol
• Exact Mass: 385.24
• IUPAC Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-oxo-2-azaspiro[4.5]decane-8-carboxamide
• SMILES: O=C1CC2(CCC(C(=O)NCC(O)CN3CCc4ccccc4C3)CC2)CN1
• InChI: InChI=1S/C22H31N3O3/c26-19(14-25-10-7-16-3-1-2-4-18(16)13-25)12-23-21(28)17-5-8-22(9-6-17)11-20(27)24-15-22/h1-4,17,19,26H,5-15H2,(H,23,28)(H,24,27)
• InChIKey: CEYGMWZKELOSDD-UHFFFAOYSA-N
• XLogP: 1.22
• TPSA: 81.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.51
LogP ≤ 5	1.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-oxo-2-azaspiro[4.5]decane-8-carboxamide?

The IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-oxo-2-azaspiro[4.5]decane-8-carboxamide (CID 166285273) is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-oxo-2-azaspiro[4.5]decane-8-carboxamide.

What is the SMILES notation for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-oxo-2-azaspiro[4.5]decane-8-carboxamide?

The canonical SMILES for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-oxo-2-azaspiro[4.5]decane-8-carboxamide is O=C1CC2(CCC(C(=O)NCC(O)CN3CCc4ccccc4C3)CC2)CN1.

What is the InChIKey of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-oxo-2-azaspiro[4.5]decane-8-carboxamide?

The InChIKey is CEYGMWZKELOSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c26-19(14-25-10-7-16-3-1-2-4-18(16)13-25)12-23-21(28)17-5-8-22(9-6-17)11-20(27)24-15-22/h1-4,17,19,26H,5-15H2,(H,23,28)(H,24,27).

What are the key properties of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-oxo-2-azaspiro[4.5]decane-8-carboxamide?

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-oxo-2-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-oxo-2-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 166285273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).