3,5-bis[4-(dimethylamino)phenoxy]-N-(furan-2-ylmethyl)benzamide;4-(furan-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;5-(furan-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;furan-2-ylmethyl 3,5-bis[4-(dimethylamino)phenoxy]benzoate;1-N,1-N,3-N,3-N-tetramethyl-5-(1H-pyrrol-2-ylmethoxy)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetramethyl-5-(thiophen-2-ylmethoxy)benzene-1,3-diamine

C116H138N14O15S — CID 162066851

About 3,5-bis[4-(dimethylamino)phenoxy]-N-(furan-2-ylmethyl)benzamide;4-(furan-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;5-(furan-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;furan-2-ylmethyl 3,5-bis[4-(dimethylamino)phenoxy]benzoate;1-N,1-N,3-N,3-N-tetramethyl-5-(1H-pyrrol-2-ylmethoxy)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetramethyl-5-(thiophen-2-ylmethoxy)benzene-1,3-diamine

3,5-bis[4-(dimethylamino)phenoxy]-N-(furan-2-ylmethyl)benzamide;4-(furan-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;5-(furan-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;furan-2-ylmethyl 3,5-bis[4-(dimethylamino)phenoxy]benzoate;1-N,1-N,3-N,3-N-tetramethyl-5-(1H-pyrrol-2-ylmethoxy)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetramethyl-5-(thiophen-2-ylmethoxy)benzene-1,3-diamine (PubChem CID 162066851) has the molecular formula C116H138N14O15S and a molecular weight of 2000.53 g/mol. Its IUPAC name is 3,5-bis[4-(dimethylamino)phenoxy]-N-(furan-2-ylmethyl)benzamide;4-(furan-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;5-(furan-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;furan-2-ylmethyl 3,5-bis[4-(dimethylamino)phenoxy]benzoate;1-N,1-N,3-N,3-N-tetramethyl-5-(1H-pyrrol-2-ylmethoxy)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetramethyl-5-(thiophen-2-ylmethoxy)benzene-1,3-diamine.

Molecular Properties

• Compound Name: 3,5-bis[4-(dimethylamino)phenoxy]-N-(furan-2-ylmethyl)benzamide;4-(furan-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;5-(furan-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;furan-2-ylmethyl 3,5-bis[4-(dimethylamino)phenoxy]benzoate;1-N,1-N,3-N,3-N-tetramethyl-5-(1H-pyrrol-2-ylmethoxy)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetramethyl-5-(thiophen-2-ylmethoxy)benzene-1,3-diamine
• PubChem CID: 162066851
• Molecular Formula: C116H138N14O15S
• Molecular Weight: 2000.53 g/mol
• Exact Mass: 1999.02
• IUPAC Name: 3,5-bis[4-(dimethylamino)phenoxy]-N-(furan-2-ylmethyl)benzamide;4-(furan-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;5-(furan-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;furan-2-ylmethyl 3,5-bis[4-(dimethylamino)phenoxy]benzoate;1-N,1-N,3-N,3-N-tetramethyl-5-(1H-pyrrol-2-ylmethoxy)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetramethyl-5-(thiophen-2-ylmethoxy)benzene-1,3-diamine
• SMILES: CN(C)c1cc(OCc2ccc[nH]2)cc(N(C)C)c1.CN(C)c1cc(OCc2ccco2)cc(N(C)C)c1.CN(C)c1cc(OCc2cccs2)cc(N(C)C)c1.CN(C)c1ccc(OCc2ccco2)c(N(C)C)c1.CN(C)c1ccc(Oc2cc(Oc3ccc(N(C)C)cc3)cc(C(=O)NCc3ccco3)c2)cc1.CN(C)c1ccc(Oc2cc(Oc3ccc(N(C)C)cc3)cc(C(=O)OCc3ccco3)c2)cc1
• InChI: InChI=1S/C28H29N3O4.C28H28N2O5.C15H21N3O.2C15H20N2O2.C15H20N2OS/c1-30(2)21-7-11-23(12-8-21)34-26-16-20(28(32)29-19-25-6-5-15-33-25)17-27(18-26)35-24-13-9-22(10-14-24)31(3)4;1-29(2)21-7-11-23(12-8-21)34-26-16-20(28(31)33-19-25-6-5-15-32-25)17-27(18-26)35-24-13-9-22(10-14-24)30(3)4;1-17(2)13-8-14(18(3)4)10-15(9-13)19-11-12-6-5-7-16-12;1-16(2)12-7-8-15(14(10-12)17(3)4)19-11-13-6-5-9-18-13;1-16(2)12-8-13(17(3)4)10-15(9-12)19-11-14-6-5-7-18-14;1-16(2)12-8-13(17(3)4)10-14(9-12)18-11-15-6-5-7-19-15/h5-18H,19H2,1-4H3,(H,29,32);5-18H,19H2,1-4H3;5-10,16H,11H2,1-4H3;3*5-10H,11H2,1-4H3
• InChIKey: ZAOKXJMLEPSQPS-UHFFFAOYSA-N
• XLogP: 24.45
• TPSA: 236.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 38
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2000.53
LogP ≤ 5	24.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[4-(dimethylamino)phenoxy]-N-(furan-2-ylmethyl)benzamide;4-(furan-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;5-(furan-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;furan-2-ylmethyl 3,5-bis[4-(dimethylamino)phenoxy]benzoate;1-N,1-N,3-N,3-N-tetramethyl-5-(1H-pyrrol-2-ylmethoxy)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetramethyl-5-(thiophen-2-ylmethoxy)benzene-1,3-diamine?

The IUPAC name of 3,5-bis[4-(dimethylamino)phenoxy]-N-(furan-2-ylmethyl)benzamide;4-(furan-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;5-(furan-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;furan-2-ylmethyl 3,5-bis[4-(dimethylamino)phenoxy]benzoate;1-N,1-N,3-N,3-N-tetramethyl-5-(1H-pyrrol-2-ylmethoxy)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetramethyl-5-(thiophen-2-ylmethoxy)benzene-1,3-diamine (CID 162066851) is 3,5-bis[4-(dimethylamino)phenoxy]-N-(furan-2-ylmethyl)benzamide;4-(furan-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;5-(furan-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;furan-2-ylmethyl 3,5-bis[4-(dimethylamino)phenoxy]benzoate;1-N,1-N,3-N,3-N-tetramethyl-5-(1H-pyrrol-2-ylmethoxy)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetramethyl-5-(thiophen-2-ylmethoxy)benzene-1,3-diamine.

What is the SMILES notation for 3,5-bis[4-(dimethylamino)phenoxy]-N-(furan-2-ylmethyl)benzamide;4-(furan-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;5-(furan-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;furan-2-ylmethyl 3,5-bis[4-(dimethylamino)phenoxy]benzoate;1-N,1-N,3-N,3-N-tetramethyl-5-(1H-pyrrol-2-ylmethoxy)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetramethyl-5-(thiophen-2-ylmethoxy)benzene-1,3-diamine?

The canonical SMILES for 3,5-bis[4-(dimethylamino)phenoxy]-N-(furan-2-ylmethyl)benzamide;4-(furan-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;5-(furan-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;furan-2-ylmethyl 3,5-bis[4-(dimethylamino)phenoxy]benzoate;1-N,1-N,3-N,3-N-tetramethyl-5-(1H-pyrrol-2-ylmethoxy)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetramethyl-5-(thiophen-2-ylmethoxy)benzene-1,3-diamine is CN(C)c1cc(OCc2ccc[nH]2)cc(N(C)C)c1.CN(C)c1cc(OCc2ccco2)cc(N(C)C)c1.CN(C)c1cc(OCc2cccs2)cc(N(C)C)c1.CN(C)c1ccc(OCc2ccco2)c(N(C)C)c1.CN(C)c1ccc(Oc2cc(Oc3ccc(N(C)C)cc3)cc(C(=O)NCc3ccco3)c2)cc1.CN(C)c1ccc(Oc2cc(Oc3ccc(N(C)C)cc3)cc(C(=O)OCc3ccco3)c2)cc1.

What is the InChIKey of 3,5-bis[4-(dimethylamino)phenoxy]-N-(furan-2-ylmethyl)benzamide;4-(furan-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;5-(furan-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;furan-2-ylmethyl 3,5-bis[4-(dimethylamino)phenoxy]benzoate;1-N,1-N,3-N,3-N-tetramethyl-5-(1H-pyrrol-2-ylmethoxy)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetramethyl-5-(thiophen-2-ylmethoxy)benzene-1,3-diamine?

The InChIKey is ZAOKXJMLEPSQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O4.C28H28N2O5.C15H21N3O.2C15H20N2O2.C15H20N2OS/c1-30(2)21-7-11-23(12-8-21)34-26-16-20(28(32)29-19-25-6-5-15-33-25)17-27(18-26)35-24-13-9-22(10-14-24)31(3)4;1-29(2)21-7-11-23(12-8-21)34-26-16-20(28(31)33-19-25-6-5-15-32-25)17-27(18-26)35-24-13-9-22(10-14-24)30(3)4;1-17(2)13-8-14(18(3)4)10-15(9-13)19-11-12-6-5-7-16-12;1-16(2)12-7-8-15(14(10-12)17(3)4)19-11-13-6-5-9-18-13;1-16(2)12-8-13(17(3)4)10-15(9-12)19-11-14-6-5-7-18-14;1-16(2)12-8-13(17(3)4)10-14(9-12)18-11-15-6-5-7-19-15/h5-18H,19H2,1-4H3,(H,29,32);5-18H,19H2,1-4H3;5-10,16H,11H2,1-4H3;3*5-10H,11H2,1-4H3.

What are the key properties of 3,5-bis[4-(dimethylamino)phenoxy]-N-(furan-2-ylmethyl)benzamide;4-(furan-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;5-(furan-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;furan-2-ylmethyl 3,5-bis[4-(dimethylamino)phenoxy]benzoate;1-N,1-N,3-N,3-N-tetramethyl-5-(1H-pyrrol-2-ylmethoxy)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetramethyl-5-(thiophen-2-ylmethoxy)benzene-1,3-diamine?

3,5-bis[4-(dimethylamino)phenoxy]-N-(furan-2-ylmethyl)benzamide;4-(furan-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;5-(furan-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;furan-2-ylmethyl 3,5-bis[4-(dimethylamino)phenoxy]benzoate;1-N,1-N,3-N,3-N-tetramethyl-5-(1H-pyrrol-2-ylmethoxy)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetramethyl-5-(thiophen-2-ylmethoxy)benzene-1,3-diamine has a molecular weight of 2000.53 g/mol, XLogP of 24.45, 38 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-bis[4-(dimethylamino)phenoxy]-N-(furan-2-ylmethyl)benzamide;4-(furan-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;5-(furan-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;furan-2-ylmethyl 3,5-bis[4-(dimethylamino)phenoxy]benzoate;1-N,1-N,3-N,3-N-tetramethyl-5-(1H-pyrrol-2-ylmethoxy)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetramethyl-5-(thiophen-2-ylmethoxy)benzene-1,3-diamine is sourced from PubChem (CID 162066851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).