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

C25H36N2O3 — CID 10047322

IUPAC8-[4-[3,4-dihydro-2H-chromen-3-yl(propyl)amino]butyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2ccccc2C1
InChIInChI=1S/C25H36N2O3/c1-2-13-26(21-16-20-9-3-4-10-22(20)30-19-21)14-7-8-15-27-23(28)17-25(18-24(27)29)11-5-6-12-25/h3-4,9-10,21H,2,5-8,11-19H2,1H3
InChIKeyFVLLVXYMXQHQOB-UHFFFAOYSA-N
MW412.57 g/mol
LogP4.19
Rot. Bonds8

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

8-[4-[3,4-dihydro-2H-chromen-3-yl(propyl)amino]butyl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 10047322) has the molecular formula C25H36N2O3 and a molecular weight of 412.57 g/mol. Its IUPAC name is 8-[4-[3,4-dihydro-2H-chromen-3-yl(propyl)amino]butyl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[4-[3,4-dihydro-2H-chromen-3-yl(propyl)amino]butyl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID10047322
Molecular FormulaC25H36N2O3
Molecular Weight412.57 g/mol
Exact Mass412.27
IUPAC Name8-[4-[3,4-dihydro-2H-chromen-3-yl(propyl)amino]butyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2ccccc2C1
InChIInChI=1S/C25H36N2O3/c1-2-13-26(21-16-20-9-3-4-10-22(20)30-19-21)14-7-8-15-27-23(28)17-25(18-24(27)29)11-5-6-12-25/h3-4,9-10,21H,2,5-8,11-19H2,1H3
InChIKeyFVLLVXYMXQHQOB-UHFFFAOYSA-N
XLogP4.19
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.57
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-[4-[3,4-dihydro-2H-chromen-3-yl(propyl)amino]butyl]-8-azaspiro[4.5]decane-7,9-dione with MolForge

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Launch Full Analysis

Related Compounds

Alnespirone
CID 178132
8-[4-[Propyl(5-methoxychroman-3-yl)amino]butyl]-8-azaspiro[4.5]decane-7,9-dione
CID 121852
2-(2-Methoxy-phenyl)-1-morpholin-4-yl-ethanone
CID 669556
8-[3-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]propyl]-8-azaspiro[4.5]decane-7,9-dione
CID 10252000
8-[3-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]propoxy]-8-azaspiro[4.5]decane-7,9-dione
CID 10321248
(3S)-3-[4-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)butyl-propylamino]-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide
CID 10504531
(3R)-3-[4-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)butyl-propylamino]-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide
CID 10672033
8-{4-[(5-Hydroxy-chroman-3-yl)-propyl-amino]-butyl}-8-aza-spiro[4.5]decane-7,9-dione
CID 11743327
8-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione;oxalic acid
CID 24833969
8-[6-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]hexyl]-8-azaspiro[4.5]decane-7,9-dione
CID 44276249
8-[3-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]propyl]-8-azaspiro[4.5]decane-7,9-dione;oxalic acid
CID 44295483
8-[3-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]propoxy]-8-azaspiro[4.5]decane-7,9-dione;oxalic acid
CID 44295541

Frequently Asked Questions

What is the IUPAC name of 8-[4-[3,4-dihydro-2H-chromen-3-yl(propyl)amino]butyl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[4-[3,4-dihydro-2H-chromen-3-yl(propyl)amino]butyl]-8-azaspiro[4.5]decane-7,9-dione (CID 10047322) is 8-[4-[3,4-dihydro-2H-chromen-3-yl(propyl)amino]butyl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[4-[3,4-dihydro-2H-chromen-3-yl(propyl)amino]butyl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[4-[3,4-dihydro-2H-chromen-3-yl(propyl)amino]butyl]-8-azaspiro[4.5]decane-7,9-dione is CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2ccccc2C1.
What is the InChIKey of 8-[4-[3,4-dihydro-2H-chromen-3-yl(propyl)amino]butyl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is FVLLVXYMXQHQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O3/c1-2-13-26(21-16-20-9-3-4-10-22(20)30-19-21)14-7-8-15-27-23(28)17-25(18-24(27)29)11-5-6-12-25/h3-4,9-10,21H,2,5-8,11-19H2,1H3.
What are the key properties of 8-[4-[3,4-dihydro-2H-chromen-3-yl(propyl)amino]butyl]-8-azaspiro[4.5]decane-7,9-dione?
8-[4-[3,4-dihydro-2H-chromen-3-yl(propyl)amino]butyl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 412.57 g/mol, XLogP of 4.19, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[3,4-dihydro-2H-chromen-3-yl(propyl)amino]butyl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 10047322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).