N-[(1R)-5-(5-ethyl-2-nonyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-methyl-1,2-diazaspiro[5.9]pentadecane-5-carboxamide

C37H63N5O2 — CID 155296643

About N-[(1R)-5-(5-ethyl-2-nonyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-methyl-1,2-diazaspiro[5.9]pentadecane-5-carboxamide

N-[(1R)-5-(5-ethyl-2-nonyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-methyl-1,2-diazaspiro[5.9]pentadecane-5-carboxamide (PubChem CID 155296643) has the molecular formula C37H63N5O2 and a molecular weight of 609.94 g/mol. Its IUPAC name is N-[(1R)-5-(5-ethyl-2-nonyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-methyl-1,2-diazaspiro[5.9]pentadecane-5-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-5-(5-ethyl-2-nonyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-methyl-1,2-diazaspiro[5.9]pentadecane-5-carboxamide
• PubChem CID: 155296643
• Molecular Formula: C37H63N5O2
• Molecular Weight: 609.94 g/mol
• Exact Mass: 609.50
• IUPAC Name: N-[(1R)-5-(5-ethyl-2-nonyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-methyl-1,2-diazaspiro[5.9]pentadecane-5-carboxamide
• SMILES: CCCCCCCCCN1OC(CC)NC1c1ccc2c(c1)CC[C@H]2NC(=O)C1CC(C)NNC12CCCCCCCCC2
• InChI: InChI=1S/C37H63N5O2/c1-4-6-7-8-12-15-18-25-42-35(39-34(5-2)44-42)30-19-21-31-29(27-30)20-22-33(31)38-36(43)32-26-28(3)40-41-37(32)23-16-13-10-9-11-14-17-24-37/h19,21,27-28,32-35,39-41H,4-18,20,22-26H2,1-3H3,(H,38,43)/t28?,32?,33-,34?,35?/m1/s1
• InChIKey: BOKTULATFVBDCC-NWFHPLAISA-N
• XLogP: 7.88
• TPSA: 77.66 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.94
LogP ≤ 5	7.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-5-(5-ethyl-2-nonyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-methyl-1,2-diazaspiro[5.9]pentadecane-5-carboxamide?

The IUPAC name of N-[(1R)-5-(5-ethyl-2-nonyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-methyl-1,2-diazaspiro[5.9]pentadecane-5-carboxamide (CID 155296643) is N-[(1R)-5-(5-ethyl-2-nonyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-methyl-1,2-diazaspiro[5.9]pentadecane-5-carboxamide.

What is the SMILES notation for N-[(1R)-5-(5-ethyl-2-nonyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-methyl-1,2-diazaspiro[5.9]pentadecane-5-carboxamide?

The canonical SMILES for N-[(1R)-5-(5-ethyl-2-nonyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-methyl-1,2-diazaspiro[5.9]pentadecane-5-carboxamide is CCCCCCCCCN1OC(CC)NC1c1ccc2c(c1)CC[C@H]2NC(=O)C1CC(C)NNC12CCCCCCCCC2.

What is the InChIKey of N-[(1R)-5-(5-ethyl-2-nonyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-methyl-1,2-diazaspiro[5.9]pentadecane-5-carboxamide?

The InChIKey is BOKTULATFVBDCC-NWFHPLAISA-N. The full InChI is InChI=1S/C37H63N5O2/c1-4-6-7-8-12-15-18-25-42-35(39-34(5-2)44-42)30-19-21-31-29(27-30)20-22-33(31)38-36(43)32-26-28(3)40-41-37(32)23-16-13-10-9-11-14-17-24-37/h19,21,27-28,32-35,39-41H,4-18,20,22-26H2,1-3H3,(H,38,43)/t28?,32?,33-,34?,35?/m1/s1.

What are the key properties of N-[(1R)-5-(5-ethyl-2-nonyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-methyl-1,2-diazaspiro[5.9]pentadecane-5-carboxamide?

N-[(1R)-5-(5-ethyl-2-nonyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-methyl-1,2-diazaspiro[5.9]pentadecane-5-carboxamide has a molecular weight of 609.94 g/mol, XLogP of 7.88, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-5-(5-ethyl-2-nonyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-methyl-1,2-diazaspiro[5.9]pentadecane-5-carboxamide is sourced from PubChem (CID 155296643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).