(5S,8R)-8-[6-(5-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-1-azaspiro[4.4]nonan-2-one

C24H35NO2 — CID 126581821

IUPAC(5S,8R)-8-[6-(5-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-1-azaspiro[4.4]nonan-2-one
SMILESCOCCCCCC1CCc2cc([C@@H]3CC[C@]4(CCC(=O)N4)C3)ccc2C1
InChIInChI=1S/C24H35NO2/c1-27-14-4-2-3-5-18-6-7-20-16-21(9-8-19(20)15-18)22-10-12-24(17-22)13-11-23(26)25-24/h8-9,16,18,22H,2-7,10-15,17H2,1H3,(H,25,26)/t18?,22-,24+/m1/s1
InChIKeyPCVYYMNKJCIXEB-ZMOSESBSSA-N
MW369.55 g/mol
LogP4.91
Rot. Bonds7

About (5S,8R)-8-[6-(5-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-1-azaspiro[4.4]nonan-2-one

(5S,8R)-8-[6-(5-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-1-azaspiro[4.4]nonan-2-one (PubChem CID 126581821) has the molecular formula C24H35NO2 and a molecular weight of 369.55 g/mol. Its IUPAC name is (5S,8R)-8-[6-(5-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-1-azaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name(5S,8R)-8-[6-(5-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-1-azaspiro[4.4]nonan-2-one
PubChem CID126581821
Molecular FormulaC24H35NO2
Molecular Weight369.55 g/mol
Exact Mass369.27
IUPAC Name(5S,8R)-8-[6-(5-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-1-azaspiro[4.4]nonan-2-one
SMILESCOCCCCCC1CCc2cc([C@@H]3CC[C@]4(CCC(=O)N4)C3)ccc2C1
InChIInChI=1S/C24H35NO2/c1-27-14-4-2-3-5-18-6-7-20-16-21(9-8-19(20)15-18)22-10-12-24(17-22)13-11-23(26)25-24/h8-9,16,18,22H,2-7,10-15,17H2,1H3,(H,25,26)/t18?,22-,24+/m1/s1
InChIKeyPCVYYMNKJCIXEB-ZMOSESBSSA-N
XLogP4.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.55
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S,8R)-8-[6-(5-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-1-azaspiro[4.4]nonan-2-one?
The IUPAC name of (5S,8R)-8-[6-(5-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-1-azaspiro[4.4]nonan-2-one (CID 126581821) is (5S,8R)-8-[6-(5-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-1-azaspiro[4.4]nonan-2-one.
What is the SMILES notation for (5S,8R)-8-[6-(5-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-1-azaspiro[4.4]nonan-2-one?
The canonical SMILES for (5S,8R)-8-[6-(5-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-1-azaspiro[4.4]nonan-2-one is COCCCCCC1CCc2cc([C@@H]3CC[C@]4(CCC(=O)N4)C3)ccc2C1.
What is the InChIKey of (5S,8R)-8-[6-(5-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-1-azaspiro[4.4]nonan-2-one?
The InChIKey is PCVYYMNKJCIXEB-ZMOSESBSSA-N. The full InChI is InChI=1S/C24H35NO2/c1-27-14-4-2-3-5-18-6-7-20-16-21(9-8-19(20)15-18)22-10-12-24(17-22)13-11-23(26)25-24/h8-9,16,18,22H,2-7,10-15,17H2,1H3,(H,25,26)/t18?,22-,24+/m1/s1.
What are the key properties of (5S,8R)-8-[6-(5-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-1-azaspiro[4.4]nonan-2-one?
(5S,8R)-8-[6-(5-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-1-azaspiro[4.4]nonan-2-one has a molecular weight of 369.55 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8R)-8-[6-(5-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-1-azaspiro[4.4]nonan-2-one is sourced from PubChem (CID 126581821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).