8-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione

C21H30N2O4 — CID 11485631

IUPAC8-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCOc1ccccc1OCCN(C)CCN1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C21H30N2O4/c1-22(13-14-27-18-8-4-3-7-17(18)26-2)11-12-23-19(24)15-21(16-20(23)25)9-5-6-10-21/h3-4,7-8H,5-6,9-16H2,1-2H3
InChIKeyVNNMLVMVVPXAQV-UHFFFAOYSA-N
MW374.48 g/mol
LogP2.72
Rot. Bonds8

About 8-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione

8-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 11485631) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is 8-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID11485631
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name8-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCOc1ccccc1OCCN(C)CCN1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C21H30N2O4/c1-22(13-14-27-18-8-4-3-7-17(18)26-2)11-12-23-19(24)15-21(16-20(23)25)9-5-6-10-21/h3-4,7-8H,5-6,9-16H2,1-2H3
InChIKeyVNNMLVMVVPXAQV-UHFFFAOYSA-N
XLogP2.72
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione with MolForge

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Related Compounds

Binospirone Mesylate
CID 71346
Binospirone
CID 60769
Mdl 72832
CID 182585
Tocris-0412
CID 6604720
N-[2-(2-methoxyphenoxy)ethyl]cyclohexanecarboxamide
CID 2975398
1-acetyl-N-[2-(2-methoxyphenoxy)ethyl]piperidine-4-carboxamide
CID 9534152
3-Cyclopentyl-1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]propan-1-one
CID 651244
1-(3-Cyclopentylpropanoyl)-4-(phenoxyacetyl)piperazine
CID 776686
Binospirone, (S)-
CID 6604719
8-(2-{[2-(2-Chloro-phenoxy)-ethyl]-methyl-amino}-ethyl)-8-aza-spiro[4.5]decane-7,9-dione
CID 11245925
8-{2-[2-(2-Methoxy-phenoxy)-ethylamino]-ethyl}-8-aza-spiro[4.5]decane-7,9-dione
CID 11279872
8-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione
CID 23786480

Frequently Asked Questions

What is the IUPAC name of 8-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione (CID 11485631) is 8-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione is COc1ccccc1OCCN(C)CCN1C(=O)CC2(CCCC2)CC1=O.
What is the InChIKey of 8-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is VNNMLVMVVPXAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-22(13-14-27-18-8-4-3-7-17(18)26-2)11-12-23-19(24)15-21(16-20(23)25)9-5-6-10-21/h3-4,7-8H,5-6,9-16H2,1-2H3.
What are the key properties of 8-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
8-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 374.48 g/mol, XLogP of 2.72, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 11485631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).