9-[3-[bis(4-fluorophenyl)methoxy]propyl]-14-(2-methoxyethyl)-1,4,12-trioxa-9,14-diazadispiro[4.0.56.35]tetradecane-2,3,13-trione

C28H30F2N2O8 — CID 139975896

IUPAC9-[3-[bis(4-fluorophenyl)methoxy]propyl]-14-(2-methoxyethyl)-1,4,12-trioxa-9,14-diazadispiro[4.0.56.35]tetradecane-2,3,13-trione
SMILESCOCCN1C(=O)OC2(CCN(CCCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C12OC(=O)C(=O)O2
InChIInChI=1S/C28H30F2N2O8/c1-36-18-16-32-26(35)40-27(28(32)38-24(33)25(34)39-28)11-14-31(15-12-27)13-2-17-37-23(19-3-7-21(29)8-4-19)20-5-9-22(30)10-6-20/h3-10,23H,2,11-18H2,1H3
InChIKeyDHDSVDPYPYDABH-UHFFFAOYSA-N
MW560.55 g/mol
LogP3.15
Rot. Bonds10

About 9-[3-[bis(4-fluorophenyl)methoxy]propyl]-14-(2-methoxyethyl)-1,4,12-trioxa-9,14-diazadispiro[4.0.56.35]tetradecane-2,3,13-trione

9-[3-[bis(4-fluorophenyl)methoxy]propyl]-14-(2-methoxyethyl)-1,4,12-trioxa-9,14-diazadispiro[4.0.56.35]tetradecane-2,3,13-trione (PubChem CID 139975896) has the molecular formula C28H30F2N2O8 and a molecular weight of 560.55 g/mol. Its IUPAC name is 9-[3-[bis(4-fluorophenyl)methoxy]propyl]-14-(2-methoxyethyl)-1,4,12-trioxa-9,14-diazadispiro[4.0.56.35]tetradecane-2,3,13-trione.

Molecular Properties

Compound Name9-[3-[bis(4-fluorophenyl)methoxy]propyl]-14-(2-methoxyethyl)-1,4,12-trioxa-9,14-diazadispiro[4.0.56.35]tetradecane-2,3,13-trione
PubChem CID139975896
Molecular FormulaC28H30F2N2O8
Molecular Weight560.55 g/mol
Exact Mass560.20
IUPAC Name9-[3-[bis(4-fluorophenyl)methoxy]propyl]-14-(2-methoxyethyl)-1,4,12-trioxa-9,14-diazadispiro[4.0.56.35]tetradecane-2,3,13-trione
SMILESCOCCN1C(=O)OC2(CCN(CCCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C12OC(=O)C(=O)O2
InChIInChI=1S/C28H30F2N2O8/c1-36-18-16-32-26(35)40-27(28(32)38-24(33)25(34)39-28)11-14-31(15-12-27)13-2-17-37-23(19-3-7-21(29)8-4-19)20-5-9-22(30)10-6-20/h3-10,23H,2,11-18H2,1H3
InChIKeyDHDSVDPYPYDABH-UHFFFAOYSA-N
XLogP3.15
TPSA103.84 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.55
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 9-[3-[bis(4-fluorophenyl)methoxy]propyl]-14-(2-methoxyethyl)-1,4,12-trioxa-9,14-diazadispiro[4.0.56.35]tetradecane-2,3,13-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Benzhydryloxy-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 38376507
[1-[4-[2-[Bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-2-methyl-1-oxopropan-2-yl] acetate
CID 132464666
[1-[4-[2-[(3,4-Difluorophenyl)-phenylmethoxy]ethyl]piperazin-1-yl]-2-methyl-1-oxopropan-2-yl] acetate
CID 132465579
8-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-3-(methylsulfanylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 11225023
8-[3-[Bis(4-fluorophenyl)methoxy]propyl]-3-(methylsulfanylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 11488388
Benzyl 4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 18925454
2-[2-[4-[Bis(4-fluorophenyl)methoxy]piperidin-1-yl]ethoxy]acetic acid
CID 19874249
Methyl 2-[2-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]ethoxy]acetate
CID 19874360
Methyl 2-[2-[4-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]ethoxy]acetate
CID 19874395
4-(3-(4-Fluorophenyl)-3,3-(ethylenedioxy)propyl)-1-(benzyloxycarbonyl) piperidine
CID 53820814
Bis[[1-[2-(3-butyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]piperidin-4-yl]-bis(4-fluorophenyl)methyl] oxalate
CID 57096247
Bis[bis(4-fluorophenyl)-[1-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)butyl]piperidin-4-yl]methyl] oxalate
CID 57259836

Frequently Asked Questions

What is the IUPAC name of 9-[3-[bis(4-fluorophenyl)methoxy]propyl]-14-(2-methoxyethyl)-1,4,12-trioxa-9,14-diazadispiro[4.0.56.35]tetradecane-2,3,13-trione?
The IUPAC name of 9-[3-[bis(4-fluorophenyl)methoxy]propyl]-14-(2-methoxyethyl)-1,4,12-trioxa-9,14-diazadispiro[4.0.56.35]tetradecane-2,3,13-trione (CID 139975896) is 9-[3-[bis(4-fluorophenyl)methoxy]propyl]-14-(2-methoxyethyl)-1,4,12-trioxa-9,14-diazadispiro[4.0.56.35]tetradecane-2,3,13-trione.
What is the SMILES notation for 9-[3-[bis(4-fluorophenyl)methoxy]propyl]-14-(2-methoxyethyl)-1,4,12-trioxa-9,14-diazadispiro[4.0.56.35]tetradecane-2,3,13-trione?
The canonical SMILES for 9-[3-[bis(4-fluorophenyl)methoxy]propyl]-14-(2-methoxyethyl)-1,4,12-trioxa-9,14-diazadispiro[4.0.56.35]tetradecane-2,3,13-trione is COCCN1C(=O)OC2(CCN(CCCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C12OC(=O)C(=O)O2.
What is the InChIKey of 9-[3-[bis(4-fluorophenyl)methoxy]propyl]-14-(2-methoxyethyl)-1,4,12-trioxa-9,14-diazadispiro[4.0.56.35]tetradecane-2,3,13-trione?
The InChIKey is DHDSVDPYPYDABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F2N2O8/c1-36-18-16-32-26(35)40-27(28(32)38-24(33)25(34)39-28)11-14-31(15-12-27)13-2-17-37-23(19-3-7-21(29)8-4-19)20-5-9-22(30)10-6-20/h3-10,23H,2,11-18H2,1H3.
What are the key properties of 9-[3-[bis(4-fluorophenyl)methoxy]propyl]-14-(2-methoxyethyl)-1,4,12-trioxa-9,14-diazadispiro[4.0.56.35]tetradecane-2,3,13-trione?
9-[3-[bis(4-fluorophenyl)methoxy]propyl]-14-(2-methoxyethyl)-1,4,12-trioxa-9,14-diazadispiro[4.0.56.35]tetradecane-2,3,13-trione has a molecular weight of 560.55 g/mol, XLogP of 3.15, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[bis(4-fluorophenyl)methoxy]propyl]-14-(2-methoxyethyl)-1,4,12-trioxa-9,14-diazadispiro[4.0.56.35]tetradecane-2,3,13-trione is sourced from PubChem (CID 139975896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).