N-ethyl-N-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-3-[2-[3-[2-[4-(4-methylpyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]propanamide

C41H55N7O6 — CID 134394497

About N-ethyl-N-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-3-[2-[3-[2-[4-(4-methylpyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]propanamide

N-ethyl-N-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-3-[2-[3-[2-[4-(4-methylpyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]propanamide (PubChem CID 134394497) has the molecular formula C41H55N7O6 and a molecular weight of 741.93 g/mol. Its IUPAC name is N-ethyl-N-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-3-[2-[3-[2-[4-(4-methylpyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]propanamide.

Molecular Properties

• Compound Name: N-ethyl-N-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-3-[2-[3-[2-[4-(4-methylpyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]propanamide
• PubChem CID: 134394497
• Molecular Formula: C41H55N7O6
• Molecular Weight: 741.93 g/mol
• Exact Mass: 741.42
• IUPAC Name: N-ethyl-N-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-3-[2-[3-[2-[4-(4-methylpyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]propanamide
• SMILES: CCN(CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)C(=O)CCOCCc1cccc(CCN2CCC3(CC2)CN(c2nccc(C)n2)CCO3)c1
• InChI: InChI=1S/C41H55N7O6/c1-3-47(22-18-42-28-36(50)33-7-9-35(49)39-34(33)8-10-37(51)45-39)38(52)14-25-53-24-13-32-6-4-5-31(27-32)12-19-46-20-15-41(16-21-46)29-48(23-26-54-41)40-43-17-11-30(2)44-40/h4-11,17,27,36,42,49-50H,3,12-16,18-26,28-29H2,1-2H3,(H,45,51)/t36-/m0/s1
• InChIKey: SNPKALQETUABOR-BHVANESWSA-N
• XLogP: 3.37
• TPSA: 156.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 17
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	741.93
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-3-[2-[3-[2-[4-(4-methylpyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]propanamide?

The IUPAC name of N-ethyl-N-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-3-[2-[3-[2-[4-(4-methylpyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]propanamide (CID 134394497) is N-ethyl-N-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-3-[2-[3-[2-[4-(4-methylpyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]propanamide.

What is the SMILES notation for N-ethyl-N-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-3-[2-[3-[2-[4-(4-methylpyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]propanamide?

The canonical SMILES for N-ethyl-N-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-3-[2-[3-[2-[4-(4-methylpyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]propanamide is CCN(CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)C(=O)CCOCCc1cccc(CCN2CCC3(CC2)CN(c2nccc(C)n2)CCO3)c1.

What is the InChIKey of N-ethyl-N-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-3-[2-[3-[2-[4-(4-methylpyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]propanamide?

The InChIKey is SNPKALQETUABOR-BHVANESWSA-N. The full InChI is InChI=1S/C41H55N7O6/c1-3-47(22-18-42-28-36(50)33-7-9-35(49)39-34(33)8-10-37(51)45-39)38(52)14-25-53-24-13-32-6-4-5-31(27-32)12-19-46-20-15-41(16-21-46)29-48(23-26-54-41)40-43-17-11-30(2)44-40/h4-11,17,27,36,42,49-50H,3,12-16,18-26,28-29H2,1-2H3,(H,45,51)/t36-/m0/s1.

What are the key properties of N-ethyl-N-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-3-[2-[3-[2-[4-(4-methylpyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]propanamide?

N-ethyl-N-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-3-[2-[3-[2-[4-(4-methylpyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]propanamide has a molecular weight of 741.93 g/mol, XLogP of 3.37, 17 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-N-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-3-[2-[3-[2-[4-(4-methylpyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]propanamide is sourced from PubChem (CID 134394497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).