ethyl 10-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2,3-dioxo-1,4-dioxa-7,10-diazaspiro[4.5]decane-7-carboxylate

C24H24F2N2O7 — CID 139851821

IUPACethyl 10-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2,3-dioxo-1,4-dioxa-7,10-diazaspiro[4.5]decane-7-carboxylate
SMILESCCOC(=O)N1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)C2(C1)OC(=O)C(=O)O2
InChIInChI=1S/C24H24F2N2O7/c1-2-32-23(31)27-11-12-28(24(15-27)34-21(29)22(30)35-24)13-14-33-20(16-3-7-18(25)8-4-16)17-5-9-19(26)10-6-17/h3-10,20H,2,11-15H2,1H3
InChIKeyICDPDMMBDKRCCU-UHFFFAOYSA-N
MW490.46 g/mol
LogP2.60
Rot. Bonds7

About ethyl 10-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2,3-dioxo-1,4-dioxa-7,10-diazaspiro[4.5]decane-7-carboxylate

ethyl 10-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2,3-dioxo-1,4-dioxa-7,10-diazaspiro[4.5]decane-7-carboxylate (PubChem CID 139851821) has the molecular formula C24H24F2N2O7 and a molecular weight of 490.46 g/mol. Its IUPAC name is ethyl 10-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2,3-dioxo-1,4-dioxa-7,10-diazaspiro[4.5]decane-7-carboxylate.

Molecular Properties

Compound Nameethyl 10-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2,3-dioxo-1,4-dioxa-7,10-diazaspiro[4.5]decane-7-carboxylate
PubChem CID139851821
Molecular FormulaC24H24F2N2O7
Molecular Weight490.46 g/mol
Exact Mass490.16
IUPAC Nameethyl 10-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2,3-dioxo-1,4-dioxa-7,10-diazaspiro[4.5]decane-7-carboxylate
SMILESCCOC(=O)N1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)C2(C1)OC(=O)C(=O)O2
InChIInChI=1S/C24H24F2N2O7/c1-2-32-23(31)27-11-12-28(24(15-27)34-21(29)22(30)35-24)13-14-33-20(16-3-7-18(25)8-4-16)17-5-9-19(26)10-6-17/h3-10,20H,2,11-15H2,1H3
InChIKeyICDPDMMBDKRCCU-UHFFFAOYSA-N
XLogP2.60
TPSA94.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.46
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[Bis(4-fluorophenyl)methoxy]-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;oxalic acid
CID 16249111
2-Benzhydryloxy-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 38376507
1-[2-[(2-Fluorophenyl)methoxymethyl]morpholin-4-yl]-2-phenylmethoxyethanone
CID 132454298
Ethyl 4-[4-[2-[(3,4-difluorophenyl)-phenylmethoxy]ethyl]piperazin-1-yl]-4-oxobutanoate
CID 132463724
[1-[4-[2-[Bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-2-methyl-1-oxopropan-2-yl] acetate
CID 132464666
[2-Methyl-1-oxo-1-[4-[2-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]ethyl]piperazin-1-yl]propan-2-yl] acetate
CID 132464736
[1-[4-[2-[(3,4-Difluorophenyl)-phenylmethoxy]ethyl]piperazin-1-yl]-2-methyl-1-oxopropan-2-yl] acetate
CID 132465579
Ethyl 3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propanoate
CID 3046270
1-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-4-(2,2-dimethoxyethyl)piperazine
CID 19106735
4-{2-[1,1-Bis(4-fluorophenyl)ethoxy]ethyl}-1-ethoxycarbonylpiperazine
CID 19370381
1-[4-[2-[Bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propan-1-one
CID 19844628
Methyl 2-[2-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]ethoxy]acetate
CID 19874360

Frequently Asked Questions

What is the IUPAC name of ethyl 10-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2,3-dioxo-1,4-dioxa-7,10-diazaspiro[4.5]decane-7-carboxylate?
The IUPAC name of ethyl 10-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2,3-dioxo-1,4-dioxa-7,10-diazaspiro[4.5]decane-7-carboxylate (CID 139851821) is ethyl 10-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2,3-dioxo-1,4-dioxa-7,10-diazaspiro[4.5]decane-7-carboxylate.
What is the SMILES notation for ethyl 10-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2,3-dioxo-1,4-dioxa-7,10-diazaspiro[4.5]decane-7-carboxylate?
The canonical SMILES for ethyl 10-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2,3-dioxo-1,4-dioxa-7,10-diazaspiro[4.5]decane-7-carboxylate is CCOC(=O)N1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)C2(C1)OC(=O)C(=O)O2.
What is the InChIKey of ethyl 10-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2,3-dioxo-1,4-dioxa-7,10-diazaspiro[4.5]decane-7-carboxylate?
The InChIKey is ICDPDMMBDKRCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N2O7/c1-2-32-23(31)27-11-12-28(24(15-27)34-21(29)22(30)35-24)13-14-33-20(16-3-7-18(25)8-4-16)17-5-9-19(26)10-6-17/h3-10,20H,2,11-15H2,1H3.
What are the key properties of ethyl 10-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2,3-dioxo-1,4-dioxa-7,10-diazaspiro[4.5]decane-7-carboxylate?
ethyl 10-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2,3-dioxo-1,4-dioxa-7,10-diazaspiro[4.5]decane-7-carboxylate has a molecular weight of 490.46 g/mol, XLogP of 2.60, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 10-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2,3-dioxo-1,4-dioxa-7,10-diazaspiro[4.5]decane-7-carboxylate is sourced from PubChem (CID 139851821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).