8-[4-[(5-hydroxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione

C25H36N2O4 — CID 11743327

IUPAC8-[4-[(5-hydroxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(O)c2C1
InChIInChI=1S/C25H36N2O4/c1-2-12-26(19-15-20-21(28)8-7-9-22(20)31-18-19)13-5-6-14-27-23(29)16-25(17-24(27)30)10-3-4-11-25/h7-9,19,28H,2-6,10-18H2,1H3
InChIKeySWQROGXQGSMWNA-UHFFFAOYSA-N
MW428.57 g/mol
LogP3.90
Rot. Bonds8

About 8-[4-[(5-hydroxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione

8-[4-[(5-hydroxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 11743327) has the molecular formula C25H36N2O4 and a molecular weight of 428.57 g/mol. Its IUPAC name is 8-[4-[(5-hydroxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[4-[(5-hydroxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID11743327
Molecular FormulaC25H36N2O4
Molecular Weight428.57 g/mol
Exact Mass428.27
IUPAC Name8-[4-[(5-hydroxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(O)c2C1
InChIInChI=1S/C25H36N2O4/c1-2-12-26(19-15-20-21(28)8-7-9-22(20)31-18-19)13-5-6-14-27-23(29)16-25(17-24(27)30)10-3-4-11-25/h7-9,19,28H,2-6,10-18H2,1H3
InChIKeySWQROGXQGSMWNA-UHFFFAOYSA-N
XLogP3.90
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.57
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[(5-hydroxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[4-[(5-hydroxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione (CID 11743327) is 8-[4-[(5-hydroxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[4-[(5-hydroxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[4-[(5-hydroxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione is CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(O)c2C1.
What is the InChIKey of 8-[4-[(5-hydroxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is SWQROGXQGSMWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O4/c1-2-12-26(19-15-20-21(28)8-7-9-22(20)31-18-19)13-5-6-14-27-23(29)16-25(17-24(27)30)10-3-4-11-25/h7-9,19,28H,2-6,10-18H2,1H3.
What are the key properties of 8-[4-[(5-hydroxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione?
8-[4-[(5-hydroxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 428.57 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[(5-hydroxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 11743327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).