carbanide;ethyl 2-(6-hydroxybenzo[f][1]benzofuran-3-yl)acetate;ethyl 2-[6-(2-piperidin-1-ylethoxy)benzo[f][1]benzofuran-3-yl]acetate;3-[6-(2-piperidin-1-ylethoxy)benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione;tungsten

C64H70N3O12W- — CID 158143795

IUPACcarbanide;ethyl 2-(6-hydroxybenzo[f][1]benzofuran-3-yl)acetate;ethyl 2-[6-(2-piperidin-1-ylethoxy)benzo[f][1]benzofuran-3-yl]acetate;3-[6-(2-piperidin-1-ylethoxy)benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione;tungsten
SMILESCCOC(=O)Cc1coc2cc3ccc(O)cc3cc12.CCOC(=O)Cc1coc2cc3ccc(OCCN4CCCCC4)cc3cc12.O=C1CCC(c2coc3cc4ccc(OCCN5CCCCC5)cc4cc23)C(=O)N1.[CH3-].[W]
InChIInChI=1S/C24H26N2O4.C23H27NO4.C16H14O4.CH3.W/c27-23-7-6-19(24(28)25-23)21-15-30-22-14-16-4-5-18(12-17(16)13-20(21)22)29-11-10-26-8-2-1-3-9-26;1-2-26-23(25)15-19-16-28-22-14-17-6-7-20(12-18(17)13-21(19)22)27-11-10-24-8-4-3-5-9-24;1-2-19-16(18)8-12-9-20-15-7-10-3-4-13(17)5-11(10)6-14(12)15;;/h4-5,12-15,19H,1-3,6-11H2,(H,25,27,28);6-7,12-14,16H,2-5,8-11,15H2,1H3;3-7,9,17H,2,8H2,1H3;1H3;/q;;;-1;
InChIKeyWLGGUTURLUEQGZ-UHFFFAOYSA-N
MW1257.11 g/mol
LogP12.37
Rot. Bonds15

About carbanide;ethyl 2-(6-hydroxybenzo[f][1]benzofuran-3-yl)acetate;ethyl 2-[6-(2-piperidin-1-ylethoxy)benzo[f][1]benzofuran-3-yl]acetate;3-[6-(2-piperidin-1-ylethoxy)benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione;tungsten

carbanide;ethyl 2-(6-hydroxybenzo[f][1]benzofuran-3-yl)acetate;ethyl 2-[6-(2-piperidin-1-ylethoxy)benzo[f][1]benzofuran-3-yl]acetate;3-[6-(2-piperidin-1-ylethoxy)benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione;tungsten (PubChem CID 158143795) has the molecular formula C64H70N3O12W- and a molecular weight of 1257.11 g/mol. Its IUPAC name is carbanide;ethyl 2-(6-hydroxybenzo[f][1]benzofuran-3-yl)acetate;ethyl 2-[6-(2-piperidin-1-ylethoxy)benzo[f][1]benzofuran-3-yl]acetate;3-[6-(2-piperidin-1-ylethoxy)benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione;tungsten.

Molecular Properties

Compound Namecarbanide;ethyl 2-(6-hydroxybenzo[f][1]benzofuran-3-yl)acetate;ethyl 2-[6-(2-piperidin-1-ylethoxy)benzo[f][1]benzofuran-3-yl]acetate;3-[6-(2-piperidin-1-ylethoxy)benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione;tungsten
PubChem CID158143795
Molecular FormulaC64H70N3O12W-
Molecular Weight1257.11 g/mol
Exact Mass1256.45
IUPAC Namecarbanide;ethyl 2-(6-hydroxybenzo[f][1]benzofuran-3-yl)acetate;ethyl 2-[6-(2-piperidin-1-ylethoxy)benzo[f][1]benzofuran-3-yl]acetate;3-[6-(2-piperidin-1-ylethoxy)benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione;tungsten
SMILESCCOC(=O)Cc1coc2cc3ccc(O)cc3cc12.CCOC(=O)Cc1coc2cc3ccc(OCCN4CCCCC4)cc3cc12.O=C1CCC(c2coc3cc4ccc(OCCN5CCCCC5)cc4cc23)C(=O)N1.[CH3-].[W]
InChIInChI=1S/C24H26N2O4.C23H27NO4.C16H14O4.CH3.W/c27-23-7-6-19(24(28)25-23)21-15-30-22-14-16-4-5-18(12-17(16)13-20(21)22)29-11-10-26-8-2-1-3-9-26;1-2-26-23(25)15-19-16-28-22-14-17-6-7-20(12-18(17)13-21(19)22)27-11-10-24-8-4-3-5-9-24;1-2-19-16(18)8-12-9-20-15-7-10-3-4-13(17)5-11(10)6-14(12)15;;/h4-5,12-15,19H,1-3,6-11H2,(H,25,27,28);6-7,12-14,16H,2-5,8-11,15H2,1H3;3-7,9,17H,2,8H2,1H3;1H3;/q;;;-1;
InChIKeyWLGGUTURLUEQGZ-UHFFFAOYSA-N
XLogP12.37
TPSA183.36 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001257.11
LogP ≤ 512.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze carbanide;ethyl 2-(6-hydroxybenzo[f][1]benzofuran-3-yl)acetate;ethyl 2-[6-(2-piperidin-1-ylethoxy)benzo[f][1]benzofuran-3-yl]acetate;3-[6-(2-piperidin-1-ylethoxy)benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione;tungsten with MolForge

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Related Compounds

3-[6-[2-[cyclohexyl(methyl)amino]ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione
CID 159098526
(3S)-3-[6-[2-(dimethylamino)ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione
CID 159163611
1-[5-[3-(2,6-dioxopiperidin-3-yl)benzo[f][1]benzofuran-6-yl]oxy-2-fluorophenyl]-3-[6-(2-morpholin-4-ylethoxy)benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione
CID 166651103
bis(carbon dioxide);1-propylbenzo[e][1]benzofuran-7-ol;1-[2-(1-propylbenzo[e][1]benzofuran-7-yl)oxyethyl]pyrrolidine;4-[7-(2-pyrrolidin-1-ylethoxy)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione
CID 160754121
(3R)-3-[7-[3-(4-methylpiperazin-1-yl)propoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
CID 160897263
(3S)-3-[6-(3-methoxyphenoxy)benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione
CID 161047791
ethyl 2-[7-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]benzo[e][1]benzofuran-1-yl]acetate
CID 166788149
(3R)-3-[7-(2-pyrrolidin-1-ylethoxy)benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione
CID 167000970
4-bromo-3-methoxyaniline;6-bromo-7-methoxyquinoline;6-bromoquinolin-7-ol;carbanide;ethyl (E)-4-(6-bromoquinolin-7-yl)oxybut-2-enoate;ethyl 2-furo[3,2-g]quinolin-3-ylacetate;bis(3-furo[3,2-g]quinolin-3-ylpiperidine-2,6-dione);tungsten
CID 158404297
ethyl 2-[6-(3-methoxyphenoxy)benzo[f][1]benzofuran-3-yl]acetate
CID 158821566
(3S)-3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione
CID 158167056
tert-butyl 4-[2-[1-[(3S)-2,6-dioxopiperidin-3-yl]benzo[e][1]benzofuran-7-yl]oxyethylamino]piperidine-1-carboxylate
CID 160599860

Frequently Asked Questions

What is the IUPAC name of carbanide;ethyl 2-(6-hydroxybenzo[f][1]benzofuran-3-yl)acetate;ethyl 2-[6-(2-piperidin-1-ylethoxy)benzo[f][1]benzofuran-3-yl]acetate;3-[6-(2-piperidin-1-ylethoxy)benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione;tungsten?
The IUPAC name of carbanide;ethyl 2-(6-hydroxybenzo[f][1]benzofuran-3-yl)acetate;ethyl 2-[6-(2-piperidin-1-ylethoxy)benzo[f][1]benzofuran-3-yl]acetate;3-[6-(2-piperidin-1-ylethoxy)benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione;tungsten (CID 158143795) is carbanide;ethyl 2-(6-hydroxybenzo[f][1]benzofuran-3-yl)acetate;ethyl 2-[6-(2-piperidin-1-ylethoxy)benzo[f][1]benzofuran-3-yl]acetate;3-[6-(2-piperidin-1-ylethoxy)benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione;tungsten.
What is the SMILES notation for carbanide;ethyl 2-(6-hydroxybenzo[f][1]benzofuran-3-yl)acetate;ethyl 2-[6-(2-piperidin-1-ylethoxy)benzo[f][1]benzofuran-3-yl]acetate;3-[6-(2-piperidin-1-ylethoxy)benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione;tungsten?
The canonical SMILES for carbanide;ethyl 2-(6-hydroxybenzo[f][1]benzofuran-3-yl)acetate;ethyl 2-[6-(2-piperidin-1-ylethoxy)benzo[f][1]benzofuran-3-yl]acetate;3-[6-(2-piperidin-1-ylethoxy)benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione;tungsten is CCOC(=O)Cc1coc2cc3ccc(O)cc3cc12.CCOC(=O)Cc1coc2cc3ccc(OCCN4CCCCC4)cc3cc12.O=C1CCC(c2coc3cc4ccc(OCCN5CCCCC5)cc4cc23)C(=O)N1.[CH3-].[W].
What is the InChIKey of carbanide;ethyl 2-(6-hydroxybenzo[f][1]benzofuran-3-yl)acetate;ethyl 2-[6-(2-piperidin-1-ylethoxy)benzo[f][1]benzofuran-3-yl]acetate;3-[6-(2-piperidin-1-ylethoxy)benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione;tungsten?
The InChIKey is WLGGUTURLUEQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4.C23H27NO4.C16H14O4.CH3.W/c27-23-7-6-19(24(28)25-23)21-15-30-22-14-16-4-5-18(12-17(16)13-20(21)22)29-11-10-26-8-2-1-3-9-26;1-2-26-23(25)15-19-16-28-22-14-17-6-7-20(12-18(17)13-21(19)22)27-11-10-24-8-4-3-5-9-24;1-2-19-16(18)8-12-9-20-15-7-10-3-4-13(17)5-11(10)6-14(12)15;;/h4-5,12-15,19H,1-3,6-11H2,(H,25,27,28);6-7,12-14,16H,2-5,8-11,15H2,1H3;3-7,9,17H,2,8H2,1H3;1H3;/q;;;-1;.
What are the key properties of carbanide;ethyl 2-(6-hydroxybenzo[f][1]benzofuran-3-yl)acetate;ethyl 2-[6-(2-piperidin-1-ylethoxy)benzo[f][1]benzofuran-3-yl]acetate;3-[6-(2-piperidin-1-ylethoxy)benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione;tungsten?
carbanide;ethyl 2-(6-hydroxybenzo[f][1]benzofuran-3-yl)acetate;ethyl 2-[6-(2-piperidin-1-ylethoxy)benzo[f][1]benzofuran-3-yl]acetate;3-[6-(2-piperidin-1-ylethoxy)benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione;tungsten has a molecular weight of 1257.11 g/mol, XLogP of 12.37, 15 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethyl 2-(6-hydroxybenzo[f][1]benzofuran-3-yl)acetate;ethyl 2-[6-(2-piperidin-1-ylethoxy)benzo[f][1]benzofuran-3-yl]acetate;3-[6-(2-piperidin-1-ylethoxy)benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione;tungsten is sourced from PubChem (CID 158143795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).