(2R,6R,7R,9S,13R,14S)-7,14-bis(furan-2-yl)-4,11-bis(4-methoxyphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone

C32H26N4O8 — CID 98105339

IUPAC(2R,6R,7R,9S,13R,14S)-7,14-bis(furan-2-yl)-4,11-bis(4-methoxyphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
SMILESCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)N2[C@@H](c4ccco4)[C@H]4C(=O)N(c5ccc(OC)cc5)C(=O)[C@@H]4N2[C@@H]3c2ccco2)cc1
InChIInChI=1S/C32H26N4O8/c1-41-19-11-7-17(8-12-19)33-29(37)23-25(21-5-3-15-43-21)36-28-24(26(22-6-4-16-44-22)35(36)27(23)31(33)39)30(38)34(32(28)40)18-9-13-20(42-2)14-10-18/h3-16,23-28H,1-2H3/t23-,24-,25-,26+,27+,28-/m1/s1
InChIKeyFPZUHNRYXOMZOZ-HKVPEBPQSA-N
MW594.58 g/mol
LogP3.33
Rot. Bonds6

About (2R,6R,7R,9S,13R,14S)-7,14-bis(furan-2-yl)-4,11-bis(4-methoxyphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone

(2R,6R,7R,9S,13R,14S)-7,14-bis(furan-2-yl)-4,11-bis(4-methoxyphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone (PubChem CID 98105339) has the molecular formula C32H26N4O8 and a molecular weight of 594.58 g/mol. Its IUPAC name is (2R,6R,7R,9S,13R,14S)-7,14-bis(furan-2-yl)-4,11-bis(4-methoxyphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone.

Molecular Properties

Compound Name(2R,6R,7R,9S,13R,14S)-7,14-bis(furan-2-yl)-4,11-bis(4-methoxyphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
PubChem CID98105339
Molecular FormulaC32H26N4O8
Molecular Weight594.58 g/mol
Exact Mass594.18
IUPAC Name(2R,6R,7R,9S,13R,14S)-7,14-bis(furan-2-yl)-4,11-bis(4-methoxyphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
SMILESCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)N2[C@@H](c4ccco4)[C@H]4C(=O)N(c5ccc(OC)cc5)C(=O)[C@@H]4N2[C@@H]3c2ccco2)cc1
InChIInChI=1S/C32H26N4O8/c1-41-19-11-7-17(8-12-19)33-29(37)23-25(21-5-3-15-43-21)36-28-24(26(22-6-4-16-44-22)35(36)27(23)31(33)39)30(38)34(32(28)40)18-9-13-20(42-2)14-10-18/h3-16,23-28H,1-2H3/t23-,24-,25-,26+,27+,28-/m1/s1
InChIKeyFPZUHNRYXOMZOZ-HKVPEBPQSA-N
XLogP3.33
TPSA125.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500594.58
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (2R,6R,7R,9S,13R,14S)-7,14-bis(furan-2-yl)-4,11-bis(4-methoxyphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone 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

3-(furan-2-yl)-5-(4-methoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 2866427
(2R,6S,7S,9R,13S,14S)-4,11-bis(4-methoxyphenyl)-7,14-diphenyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
CID 124719118
(2R,6R,7R,9S,13S,14S)-7,14-bis(furan-2-yl)-4,11-bis(2-methoxyphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
CID 11944831
(2R,6S,7R,9S,13S,14S)-7,14-bis(furan-2-yl)-4,11-bis(2-methoxyphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
CID 124819442
(3S,3aS,6aS)-2-(4-chlorophenyl)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 6551798
(2R,6S,7S,9R,13S,14S)-7,14-bis(furan-2-yl)-4,11-dimethyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
CID 124724599
7,14-bis(4-methoxyphenyl)-4,11-diphenyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
CID 5234641
7,14-bis(2-methoxyphenyl)-4,11-bis(4-methoxyphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
CID 3897677
7,14-bis(4-methoxyphenyl)-4,11-bis(4-methylphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
CID 5137894
4-(furan-2-yl)-3-methoxy-1-(4-methoxyphenyl)azetidin-2-one
CID 73312428
(2R,6S,7R,9S,13S,14S)-4,11-bis(4-methoxyphenyl)-7,14-dithiophen-2-yl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
CID 99663781
actinium;(4R)-4-(furan-2-yl)-3-hydroxy-1-(4-methoxyphenyl)azetidin-2-one
CID 59880313

Frequently Asked Questions

What is the IUPAC name of (2R,6R,7R,9S,13R,14S)-7,14-bis(furan-2-yl)-4,11-bis(4-methoxyphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone?
The IUPAC name of (2R,6R,7R,9S,13R,14S)-7,14-bis(furan-2-yl)-4,11-bis(4-methoxyphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone (CID 98105339) is (2R,6R,7R,9S,13R,14S)-7,14-bis(furan-2-yl)-4,11-bis(4-methoxyphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone.
What is the SMILES notation for (2R,6R,7R,9S,13R,14S)-7,14-bis(furan-2-yl)-4,11-bis(4-methoxyphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone?
The canonical SMILES for (2R,6R,7R,9S,13R,14S)-7,14-bis(furan-2-yl)-4,11-bis(4-methoxyphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone is COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)N2[C@@H](c4ccco4)[C@H]4C(=O)N(c5ccc(OC)cc5)C(=O)[C@@H]4N2[C@@H]3c2ccco2)cc1.
What is the InChIKey of (2R,6R,7R,9S,13R,14S)-7,14-bis(furan-2-yl)-4,11-bis(4-methoxyphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone?
The InChIKey is FPZUHNRYXOMZOZ-HKVPEBPQSA-N. The full InChI is InChI=1S/C32H26N4O8/c1-41-19-11-7-17(8-12-19)33-29(37)23-25(21-5-3-15-43-21)36-28-24(26(22-6-4-16-44-22)35(36)27(23)31(33)39)30(38)34(32(28)40)18-9-13-20(42-2)14-10-18/h3-16,23-28H,1-2H3/t23-,24-,25-,26+,27+,28-/m1/s1.
What are the key properties of (2R,6R,7R,9S,13R,14S)-7,14-bis(furan-2-yl)-4,11-bis(4-methoxyphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone?
(2R,6R,7R,9S,13R,14S)-7,14-bis(furan-2-yl)-4,11-bis(4-methoxyphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone has a molecular weight of 594.58 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R,7R,9S,13R,14S)-7,14-bis(furan-2-yl)-4,11-bis(4-methoxyphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone is sourced from PubChem (CID 98105339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).