1-N,3-N-bis(4-aminocyclohexyl)-4-methoxy-6-methylbenzene-1,3-dicarboxamide;tert-butyl N-[5-[4-carbamoyl-2-[2-(dimethylamino)ethylcarbamoyl]-5-hexoxyphenoxy]pentyl]carbamate;tert-butyl N-[5-[2-carbamoyl-5-hexoxy-4-(propylcarbamoyl)phenoxy]pentyl]carbamate;tert-butyl N-[4-[[2-methoxy-4-methyl-5-[(4-methylcyclohexyl)carbamoyl]benzoyl]amino]cyclohexyl]carbamate;2-cyclohexyl-1-[5-(2-cyclohexylacetyl)-4-methoxy-2-methylphenyl]ethanone;5-[2-(dimethylamino)ethylcarbamoyl]-4-hexoxy-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]benzoic acid;N',N'-dimethylethane-1,2-diamine;4-hexoxy-6-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]benzene-1,3-dicarboxylic acid;4-methoxy-6-methylbenzene-1,3-dicarbonyl chloride;4-methoxy-6-methylbenzene-1,3-dicarboxylic acid;4-methylcyclohexan-1-amine;thionyl dichloride

C212H333Cl4N21O47S — CID 158408103

IUPAC1-N,3-N-bis(4-aminocyclohexyl)-4-methoxy-6-methylbenzene-1,3-dicarboxamide;tert-butyl N-[5-[4-carbamoyl-2-[2-(dimethylamino)ethylcarbamoyl]-5-hexoxyphenoxy]pentyl]carbamate;tert-butyl N-[5-[2-carbamoyl-5-hexoxy-4-(propylcarbamoyl)phenoxy]pentyl]carbamate;tert-butyl N-[4-[[2-methoxy-4-methyl-5-[(4-methylcyclohexyl)carbamoyl]benzoyl]amino]cyclohexyl]carbamate;2-cyclohexyl-1-[5-(2-cyclohexylacetyl)-4-methoxy-2-methylphenyl]ethanone;5-[2-(dimethylamino)ethylcarbamoyl]-4-hexoxy-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]benzoic acid;N',N'-dimethylethane-1,2-diamine;4-hexoxy-6-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]benzene-1,3-dicarboxylic acid;4-methoxy-6-methylbenzene-1,3-dicarbonyl chloride;4-methoxy-6-methylbenzene-1,3-dicarboxylic acid;4-methylcyclohexan-1-amine;thionyl dichloride
SMILESCC1CCC(N)CC1.CCCCCCOc1cc(OCCCCCNC(=O)OC(C)(C)C)c(C(=O)NCCN(C)C)cc1C(N)=O.CCCCCCOc1cc(OCCCCCNC(=O)OC(C)(C)C)c(C(=O)O)cc1C(=O)NCCN(C)C.CCCCCCOc1cc(OCCCCCNC(=O)OC(C)(C)C)c(C(=O)O)cc1C(=O)O.CCCCCCOc1cc(OCCCCCNC(=O)OC(C)(C)C)c(C(N)=O)cc1C(=O)NCCC.CN(C)CCN.COc1cc(C)c(C(=O)CC2CCCCC2)cc1C(=O)CC1CCCCC1.COc1cc(C)c(C(=O)Cl)cc1C(=O)Cl.COc1cc(C)c(C(=O)NC2CCC(C)CC2)cc1C(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1.COc1cc(C)c(C(=O)NC2CCC(N)CC2)cc1C(=O)NC1CCC(N)CC1.COc1cc(C)c(C(=O)O)cc1C(=O)O.O=S(Cl)Cl
InChIInChI=1S/C28H48N4O6.C28H47N3O7.C28H43N3O5.C27H45N3O6.C24H37NO8.C24H34O3.C22H34N4O3.C10H8Cl2O3.C10H10O5.C7H15N.C4H12N2.Cl2OS/c1-7-8-9-12-17-36-23-20-24(37-18-13-10-11-14-31-27(35)38-28(2,3)4)22(19-21(23)25(29)33)26(34)30-15-16-32(5)6;1-7-8-9-12-17-36-23-20-24(37-18-13-10-11-14-30-27(35)38-28(2,3)4)22(26(33)34)19-21(23)25(32)29-15-16-31(5)6;1-17-7-9-19(10-8-17)29-25(32)22-16-23(24(35-6)15-18(22)2)26(33)30-20-11-13-21(14-12-20)31-27(34)36-28(3,4)5;1-6-8-9-12-16-35-23-19-22(20(24(28)31)18-21(23)25(32)29-14-7-2)34-17-13-10-11-15-30-26(33)36-27(3,4)5;1-5-6-7-10-13-31-19-16-20(18(22(28)29)15-17(19)21(26)27)32-14-11-8-9-12-25-23(30)33-24(2,3)4;1-17-13-24(27-2)21(23(26)15-19-11-7-4-8-12-19)16-20(17)22(25)14-18-9-5-3-6-10-18;1-13-11-20(29-2)19(22(28)26-17-9-5-15(24)6-10-17)12-18(13)21(27)25-16-7-3-14(23)4-8-16;1-5-3-8(15-2)7(10(12)14)4-6(5)9(11)13;1-5-3-8(15-2)7(10(13)14)4-6(5)9(11)12;1-6-2-4-7(8)5-3-6;1-6(2)4-3-5;1-4(2)3/h19-20H,7-18H2,1-6H3,(H2,29,33)(H,30,34)(H,31,35);19-20H,7-18H2,1-6H3,(H,29,32)(H,30,35)(H,33,34);15-17,19-21H,7-14H2,1-6H3,(H,29,32)(H,30,33)(H,31,34);18-19H,6-17H2,1-5H3,(H2,28,31)(H,29,32)(H,30,33);15-16H,5-14H2,1-4H3,(H,25,30)(H,26,27)(H,28,29);13,16,18-19H,3-12,14-15H2,1-2H3;11-12,14-17H,3-10,23-24H2,1-2H3,(H,25,27)(H,26,28);3-4H,1-2H3;3-4H,1-2H3,(H,11,12)(H,13,14);6-7H,2-5,8H2,1H3;3-5H2,1-2H3;
InChIKeyGYYKBWPYPTVTJG-UHFFFAOYSA-N
MW4101.97 g/mol
LogP38.32
Rot. Bonds94

About 1-N,3-N-bis(4-aminocyclohexyl)-4-methoxy-6-methylbenzene-1,3-dicarboxamide;tert-butyl N-[5-[4-carbamoyl-2-[2-(dimethylamino)ethylcarbamoyl]-5-hexoxyphenoxy]pentyl]carbamate;tert-butyl N-[5-[2-carbamoyl-5-hexoxy-4-(propylcarbamoyl)phenoxy]pentyl]carbamate;tert-butyl N-[4-[[2-methoxy-4-methyl-5-[(4-methylcyclohexyl)carbamoyl]benzoyl]amino]cyclohexyl]carbamate;2-cyclohexyl-1-[5-(2-cyclohexylacetyl)-4-methoxy-2-methylphenyl]ethanone;5-[2-(dimethylamino)ethylcarbamoyl]-4-hexoxy-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]benzoic acid;N',N'-dimethylethane-1,2-diamine;4-hexoxy-6-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]benzene-1,3-dicarboxylic acid;4-methoxy-6-methylbenzene-1,3-dicarbonyl chloride;4-methoxy-6-methylbenzene-1,3-dicarboxylic acid;4-methylcyclohexan-1-amine;thionyl dichloride

1-N,3-N-bis(4-aminocyclohexyl)-4-methoxy-6-methylbenzene-1,3-dicarboxamide;tert-butyl N-[5-[4-carbamoyl-2-[2-(dimethylamino)ethylcarbamoyl]-5-hexoxyphenoxy]pentyl]carbamate;tert-butyl N-[5-[2-carbamoyl-5-hexoxy-4-(propylcarbamoyl)phenoxy]pentyl]carbamate;tert-butyl N-[4-[[2-methoxy-4-methyl-5-[(4-methylcyclohexyl)carbamoyl]benzoyl]amino]cyclohexyl]carbamate;2-cyclohexyl-1-[5-(2-cyclohexylacetyl)-4-methoxy-2-methylphenyl]ethanone;5-[2-(dimethylamino)ethylcarbamoyl]-4-hexoxy-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]benzoic acid;N',N'-dimethylethane-1,2-diamine;4-hexoxy-6-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]benzene-1,3-dicarboxylic acid;4-methoxy-6-methylbenzene-1,3-dicarbonyl chloride;4-methoxy-6-methylbenzene-1,3-dicarboxylic acid;4-methylcyclohexan-1-amine;thionyl dichloride (PubChem CID 158408103) has the molecular formula C212H333Cl4N21O47S and a molecular weight of 4101.97 g/mol. Its IUPAC name is 1-N,3-N-bis(4-aminocyclohexyl)-4-methoxy-6-methylbenzene-1,3-dicarboxamide;tert-butyl N-[5-[4-carbamoyl-2-[2-(dimethylamino)ethylcarbamoyl]-5-hexoxyphenoxy]pentyl]carbamate;tert-butyl N-[5-[2-carbamoyl-5-hexoxy-4-(propylcarbamoyl)phenoxy]pentyl]carbamate;tert-butyl N-[4-[[2-methoxy-4-methyl-5-[(4-methylcyclohexyl)carbamoyl]benzoyl]amino]cyclohexyl]carbamate;2-cyclohexyl-1-[5-(2-cyclohexylacetyl)-4-methoxy-2-methylphenyl]ethanone;5-[2-(dimethylamino)ethylcarbamoyl]-4-hexoxy-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]benzoic acid;N',N'-dimethylethane-1,2-diamine;4-hexoxy-6-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]benzene-1,3-dicarboxylic acid;4-methoxy-6-methylbenzene-1,3-dicarbonyl chloride;4-methoxy-6-methylbenzene-1,3-dicarboxylic acid;4-methylcyclohexan-1-amine;thionyl dichloride.

Molecular Properties

Compound Name1-N,3-N-bis(4-aminocyclohexyl)-4-methoxy-6-methylbenzene-1,3-dicarboxamide;tert-butyl N-[5-[4-carbamoyl-2-[2-(dimethylamino)ethylcarbamoyl]-5-hexoxyphenoxy]pentyl]carbamate;tert-butyl N-[5-[2-carbamoyl-5-hexoxy-4-(propylcarbamoyl)phenoxy]pentyl]carbamate;tert-butyl N-[4-[[2-methoxy-4-methyl-5-[(4-methylcyclohexyl)carbamoyl]benzoyl]amino]cyclohexyl]carbamate;2-cyclohexyl-1-[5-(2-cyclohexylacetyl)-4-methoxy-2-methylphenyl]ethanone;5-[2-(dimethylamino)ethylcarbamoyl]-4-hexoxy-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]benzoic acid;N',N'-dimethylethane-1,2-diamine;4-hexoxy-6-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]benzene-1,3-dicarboxylic acid;4-methoxy-6-methylbenzene-1,3-dicarbonyl chloride;4-methoxy-6-methylbenzene-1,3-dicarboxylic acid;4-methylcyclohexan-1-amine;thionyl dichloride
PubChem CID158408103
Molecular FormulaC212H333Cl4N21O47S
Molecular Weight4101.97 g/mol
Exact Mass4097.28
IUPAC Name1-N,3-N-bis(4-aminocyclohexyl)-4-methoxy-6-methylbenzene-1,3-dicarboxamide;tert-butyl N-[5-[4-carbamoyl-2-[2-(dimethylamino)ethylcarbamoyl]-5-hexoxyphenoxy]pentyl]carbamate;tert-butyl N-[5-[2-carbamoyl-5-hexoxy-4-(propylcarbamoyl)phenoxy]pentyl]carbamate;tert-butyl N-[4-[[2-methoxy-4-methyl-5-[(4-methylcyclohexyl)carbamoyl]benzoyl]amino]cyclohexyl]carbamate;2-cyclohexyl-1-[5-(2-cyclohexylacetyl)-4-methoxy-2-methylphenyl]ethanone;5-[2-(dimethylamino)ethylcarbamoyl]-4-hexoxy-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]benzoic acid;N',N'-dimethylethane-1,2-diamine;4-hexoxy-6-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]benzene-1,3-dicarboxylic acid;4-methoxy-6-methylbenzene-1,3-dicarbonyl chloride;4-methoxy-6-methylbenzene-1,3-dicarboxylic acid;4-methylcyclohexan-1-amine;thionyl dichloride
SMILESCC1CCC(N)CC1.CCCCCCOc1cc(OCCCCCNC(=O)OC(C)(C)C)c(C(=O)NCCN(C)C)cc1C(N)=O.CCCCCCOc1cc(OCCCCCNC(=O)OC(C)(C)C)c(C(=O)O)cc1C(=O)NCCN(C)C.CCCCCCOc1cc(OCCCCCNC(=O)OC(C)(C)C)c(C(=O)O)cc1C(=O)O.CCCCCCOc1cc(OCCCCCNC(=O)OC(C)(C)C)c(C(N)=O)cc1C(=O)NCCC.CN(C)CCN.COc1cc(C)c(C(=O)CC2CCCCC2)cc1C(=O)CC1CCCCC1.COc1cc(C)c(C(=O)Cl)cc1C(=O)Cl.COc1cc(C)c(C(=O)NC2CCC(C)CC2)cc1C(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1.COc1cc(C)c(C(=O)NC2CCC(N)CC2)cc1C(=O)NC1CCC(N)CC1.COc1cc(C)c(C(=O)O)cc1C(=O)O.O=S(Cl)Cl
InChIInChI=1S/C28H48N4O6.C28H47N3O7.C28H43N3O5.C27H45N3O6.C24H37NO8.C24H34O3.C22H34N4O3.C10H8Cl2O3.C10H10O5.C7H15N.C4H12N2.Cl2OS/c1-7-8-9-12-17-36-23-20-24(37-18-13-10-11-14-31-27(35)38-28(2,3)4)22(19-21(23)25(29)33)26(34)30-15-16-32(5)6;1-7-8-9-12-17-36-23-20-24(37-18-13-10-11-14-30-27(35)38-28(2,3)4)22(26(33)34)19-21(23)25(32)29-15-16-31(5)6;1-17-7-9-19(10-8-17)29-25(32)22-16-23(24(35-6)15-18(22)2)26(33)30-20-11-13-21(14-12-20)31-27(34)36-28(3,4)5;1-6-8-9-12-16-35-23-19-22(20(24(28)31)18-21(23)25(32)29-14-7-2)34-17-13-10-11-15-30-26(33)36-27(3,4)5;1-5-6-7-10-13-31-19-16-20(18(22(28)29)15-17(19)21(26)27)32-14-11-8-9-12-25-23(30)33-24(2,3)4;1-17-13-24(27-2)21(23(26)15-19-11-7-4-8-12-19)16-20(17)22(25)14-18-9-5-3-6-10-18;1-13-11-20(29-2)19(22(28)26-17-9-5-15(24)6-10-17)12-18(13)21(27)25-16-7-3-14(23)4-8-16;1-5-3-8(15-2)7(10(12)14)4-6(5)9(11)13;1-5-3-8(15-2)7(10(13)14)4-6(5)9(11)12;1-6-2-4-7(8)5-3-6;1-6(2)4-3-5;1-4(2)3/h19-20H,7-18H2,1-6H3,(H2,29,33)(H,30,34)(H,31,35);19-20H,7-18H2,1-6H3,(H,29,32)(H,30,35)(H,33,34);15-17,19-21H,7-14H2,1-6H3,(H,29,32)(H,30,33)(H,31,34);18-19H,6-17H2,1-5H3,(H2,28,31)(H,29,32)(H,30,33);15-16H,5-14H2,1-4H3,(H,25,30)(H,26,27)(H,28,29);13,16,18-19H,3-12,14-15H2,1-2H3;11-12,14-17H,3-10,23-24H2,1-2H3,(H,25,27)(H,26,28);3-4H,1-2H3;3-4H,1-2H3,(H,11,12)(H,13,14);6-7H,2-5,8H2,1H3;3-5H2,1-2H3;
InChIKeyGYYKBWPYPTVTJG-UHFFFAOYSA-N
XLogP38.32
TPSA987.17 Ų
H-Bond Donors23
H-Bond Acceptors49
Rotatable Bonds94
Heavy Atoms285
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004101.97
LogP ≤ 538.32
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-N,3-N-bis(4-aminocyclohexyl)-4-methoxy-6-methylbenzene-1,3-dicarboxamide;tert-butyl N-[5-[4-carbamoyl-2-[2-(dimethylamino)ethylcarbamoyl]-5-hexoxyphenoxy]pentyl]carbamate;tert-butyl N-[5-[2-carbamoyl-5-hexoxy-4-(propylcarbamoyl)phenoxy]pentyl]carbamate;tert-butyl N-[4-[[2-methoxy-4-methyl-5-[(4-methylcyclohexyl)carbamoyl]benzoyl]amino]cyclohexyl]carbamate;2-cyclohexyl-1-[5-(2-cyclohexylacetyl)-4-methoxy-2-methylphenyl]ethanone;5-[2-(dimethylamino)ethylcarbamoyl]-4-hexoxy-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]benzoic acid;N',N'-dimethylethane-1,2-diamine;4-hexoxy-6-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]benzene-1,3-dicarboxylic acid;4-methoxy-6-methylbenzene-1,3-dicarbonyl chloride;4-methoxy-6-methylbenzene-1,3-dicarboxylic acid;4-methylcyclohexan-1-amine;thionyl dichloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(4-aminocyclohexyl)-4-methoxy-6-methylbenzene-1,3-dicarboxamide;tert-butyl N-[5-[4-carbamoyl-2-[2-(dimethylamino)ethylcarbamoyl]-5-hexoxyphenoxy]pentyl]carbamate;tert-butyl N-[5-[2-carbamoyl-5-hexoxy-4-(propylcarbamoyl)phenoxy]pentyl]carbamate;tert-butyl N-[4-[[2-methoxy-4-methyl-5-[(4-methylcyclohexyl)carbamoyl]benzoyl]amino]cyclohexyl]carbamate;2-cyclohexyl-1-[5-(2-cyclohexylacetyl)-4-methoxy-2-methylphenyl]ethanone;5-[2-(dimethylamino)ethylcarbamoyl]-4-hexoxy-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]benzoic acid;N',N'-dimethylethane-1,2-diamine;4-hexoxy-6-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]benzene-1,3-dicarboxylic acid;4-methoxy-6-methylbenzene-1,3-dicarbonyl chloride;4-methoxy-6-methylbenzene-1,3-dicarboxylic acid;4-methylcyclohexan-1-amine;thionyl dichloride?
The IUPAC name of 1-N,3-N-bis(4-aminocyclohexyl)-4-methoxy-6-methylbenzene-1,3-dicarboxamide;tert-butyl N-[5-[4-carbamoyl-2-[2-(dimethylamino)ethylcarbamoyl]-5-hexoxyphenoxy]pentyl]carbamate;tert-butyl N-[5-[2-carbamoyl-5-hexoxy-4-(propylcarbamoyl)phenoxy]pentyl]carbamate;tert-butyl N-[4-[[2-methoxy-4-methyl-5-[(4-methylcyclohexyl)carbamoyl]benzoyl]amino]cyclohexyl]carbamate;2-cyclohexyl-1-[5-(2-cyclohexylacetyl)-4-methoxy-2-methylphenyl]ethanone;5-[2-(dimethylamino)ethylcarbamoyl]-4-hexoxy-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]benzoic acid;N',N'-dimethylethane-1,2-diamine;4-hexoxy-6-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]benzene-1,3-dicarboxylic acid;4-methoxy-6-methylbenzene-1,3-dicarbonyl chloride;4-methoxy-6-methylbenzene-1,3-dicarboxylic acid;4-methylcyclohexan-1-amine;thionyl dichloride (CID 158408103) is 1-N,3-N-bis(4-aminocyclohexyl)-4-methoxy-6-methylbenzene-1,3-dicarboxamide;tert-butyl N-[5-[4-carbamoyl-2-[2-(dimethylamino)ethylcarbamoyl]-5-hexoxyphenoxy]pentyl]carbamate;tert-butyl N-[5-[2-carbamoyl-5-hexoxy-4-(propylcarbamoyl)phenoxy]pentyl]carbamate;tert-butyl N-[4-[[2-methoxy-4-methyl-5-[(4-methylcyclohexyl)carbamoyl]benzoyl]amino]cyclohexyl]carbamate;2-cyclohexyl-1-[5-(2-cyclohexylacetyl)-4-methoxy-2-methylphenyl]ethanone;5-[2-(dimethylamino)ethylcarbamoyl]-4-hexoxy-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]benzoic acid;N',N'-dimethylethane-1,2-diamine;4-hexoxy-6-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]benzene-1,3-dicarboxylic acid;4-methoxy-6-methylbenzene-1,3-dicarbonyl chloride;4-methoxy-6-methylbenzene-1,3-dicarboxylic acid;4-methylcyclohexan-1-amine;thionyl dichloride.
What is the SMILES notation for 1-N,3-N-bis(4-aminocyclohexyl)-4-methoxy-6-methylbenzene-1,3-dicarboxamide;tert-butyl N-[5-[4-carbamoyl-2-[2-(dimethylamino)ethylcarbamoyl]-5-hexoxyphenoxy]pentyl]carbamate;tert-butyl N-[5-[2-carbamoyl-5-hexoxy-4-(propylcarbamoyl)phenoxy]pentyl]carbamate;tert-butyl N-[4-[[2-methoxy-4-methyl-5-[(4-methylcyclohexyl)carbamoyl]benzoyl]amino]cyclohexyl]carbamate;2-cyclohexyl-1-[5-(2-cyclohexylacetyl)-4-methoxy-2-methylphenyl]ethanone;5-[2-(dimethylamino)ethylcarbamoyl]-4-hexoxy-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]benzoic acid;N',N'-dimethylethane-1,2-diamine;4-hexoxy-6-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]benzene-1,3-dicarboxylic acid;4-methoxy-6-methylbenzene-1,3-dicarbonyl chloride;4-methoxy-6-methylbenzene-1,3-dicarboxylic acid;4-methylcyclohexan-1-amine;thionyl dichloride?
The canonical SMILES for 1-N,3-N-bis(4-aminocyclohexyl)-4-methoxy-6-methylbenzene-1,3-dicarboxamide;tert-butyl N-[5-[4-carbamoyl-2-[2-(dimethylamino)ethylcarbamoyl]-5-hexoxyphenoxy]pentyl]carbamate;tert-butyl N-[5-[2-carbamoyl-5-hexoxy-4-(propylcarbamoyl)phenoxy]pentyl]carbamate;tert-butyl N-[4-[[2-methoxy-4-methyl-5-[(4-methylcyclohexyl)carbamoyl]benzoyl]amino]cyclohexyl]carbamate;2-cyclohexyl-1-[5-(2-cyclohexylacetyl)-4-methoxy-2-methylphenyl]ethanone;5-[2-(dimethylamino)ethylcarbamoyl]-4-hexoxy-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]benzoic acid;N',N'-dimethylethane-1,2-diamine;4-hexoxy-6-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]benzene-1,3-dicarboxylic acid;4-methoxy-6-methylbenzene-1,3-dicarbonyl chloride;4-methoxy-6-methylbenzene-1,3-dicarboxylic acid;4-methylcyclohexan-1-amine;thionyl dichloride is CC1CCC(N)CC1.CCCCCCOc1cc(OCCCCCNC(=O)OC(C)(C)C)c(C(=O)NCCN(C)C)cc1C(N)=O.CCCCCCOc1cc(OCCCCCNC(=O)OC(C)(C)C)c(C(=O)O)cc1C(=O)NCCN(C)C.CCCCCCOc1cc(OCCCCCNC(=O)OC(C)(C)C)c(C(=O)O)cc1C(=O)O.CCCCCCOc1cc(OCCCCCNC(=O)OC(C)(C)C)c(C(N)=O)cc1C(=O)NCCC.CN(C)CCN.COc1cc(C)c(C(=O)CC2CCCCC2)cc1C(=O)CC1CCCCC1.COc1cc(C)c(C(=O)Cl)cc1C(=O)Cl.COc1cc(C)c(C(=O)NC2CCC(C)CC2)cc1C(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1.COc1cc(C)c(C(=O)NC2CCC(N)CC2)cc1C(=O)NC1CCC(N)CC1.COc1cc(C)c(C(=O)O)cc1C(=O)O.O=S(Cl)Cl.
What is the InChIKey of 1-N,3-N-bis(4-aminocyclohexyl)-4-methoxy-6-methylbenzene-1,3-dicarboxamide;tert-butyl N-[5-[4-carbamoyl-2-[2-(dimethylamino)ethylcarbamoyl]-5-hexoxyphenoxy]pentyl]carbamate;tert-butyl N-[5-[2-carbamoyl-5-hexoxy-4-(propylcarbamoyl)phenoxy]pentyl]carbamate;tert-butyl N-[4-[[2-methoxy-4-methyl-5-[(4-methylcyclohexyl)carbamoyl]benzoyl]amino]cyclohexyl]carbamate;2-cyclohexyl-1-[5-(2-cyclohexylacetyl)-4-methoxy-2-methylphenyl]ethanone;5-[2-(dimethylamino)ethylcarbamoyl]-4-hexoxy-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]benzoic acid;N',N'-dimethylethane-1,2-diamine;4-hexoxy-6-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]benzene-1,3-dicarboxylic acid;4-methoxy-6-methylbenzene-1,3-dicarbonyl chloride;4-methoxy-6-methylbenzene-1,3-dicarboxylic acid;4-methylcyclohexan-1-amine;thionyl dichloride?
The InChIKey is GYYKBWPYPTVTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48N4O6.C28H47N3O7.C28H43N3O5.C27H45N3O6.C24H37NO8.C24H34O3.C22H34N4O3.C10H8Cl2O3.C10H10O5.C7H15N.C4H12N2.Cl2OS/c1-7-8-9-12-17-36-23-20-24(37-18-13-10-11-14-31-27(35)38-28(2,3)4)22(19-21(23)25(29)33)26(34)30-15-16-32(5)6;1-7-8-9-12-17-36-23-20-24(37-18-13-10-11-14-30-27(35)38-28(2,3)4)22(26(33)34)19-21(23)25(32)29-15-16-31(5)6;1-17-7-9-19(10-8-17)29-25(32)22-16-23(24(35-6)15-18(22)2)26(33)30-20-11-13-21(14-12-20)31-27(34)36-28(3,4)5;1-6-8-9-12-16-35-23-19-22(20(24(28)31)18-21(23)25(32)29-14-7-2)34-17-13-10-11-15-30-26(33)36-27(3,4)5;1-5-6-7-10-13-31-19-16-20(18(22(28)29)15-17(19)21(26)27)32-14-11-8-9-12-25-23(30)33-24(2,3)4;1-17-13-24(27-2)21(23(26)15-19-11-7-4-8-12-19)16-20(17)22(25)14-18-9-5-3-6-10-18;1-13-11-20(29-2)19(22(28)26-17-9-5-15(24)6-10-17)12-18(13)21(27)25-16-7-3-14(23)4-8-16;1-5-3-8(15-2)7(10(12)14)4-6(5)9(11)13;1-5-3-8(15-2)7(10(13)14)4-6(5)9(11)12;1-6-2-4-7(8)5-3-6;1-6(2)4-3-5;1-4(2)3/h19-20H,7-18H2,1-6H3,(H2,29,33)(H,30,34)(H,31,35);19-20H,7-18H2,1-6H3,(H,29,32)(H,30,35)(H,33,34);15-17,19-21H,7-14H2,1-6H3,(H,29,32)(H,30,33)(H,31,34);18-19H,6-17H2,1-5H3,(H2,28,31)(H,29,32)(H,30,33);15-16H,5-14H2,1-4H3,(H,25,30)(H,26,27)(H,28,29);13,16,18-19H,3-12,14-15H2,1-2H3;11-12,14-17H,3-10,23-24H2,1-2H3,(H,25,27)(H,26,28);3-4H,1-2H3;3-4H,1-2H3,(H,11,12)(H,13,14);6-7H,2-5,8H2,1H3;3-5H2,1-2H3;.
What are the key properties of 1-N,3-N-bis(4-aminocyclohexyl)-4-methoxy-6-methylbenzene-1,3-dicarboxamide;tert-butyl N-[5-[4-carbamoyl-2-[2-(dimethylamino)ethylcarbamoyl]-5-hexoxyphenoxy]pentyl]carbamate;tert-butyl N-[5-[2-carbamoyl-5-hexoxy-4-(propylcarbamoyl)phenoxy]pentyl]carbamate;tert-butyl N-[4-[[2-methoxy-4-methyl-5-[(4-methylcyclohexyl)carbamoyl]benzoyl]amino]cyclohexyl]carbamate;2-cyclohexyl-1-[5-(2-cyclohexylacetyl)-4-methoxy-2-methylphenyl]ethanone;5-[2-(dimethylamino)ethylcarbamoyl]-4-hexoxy-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]benzoic acid;N',N'-dimethylethane-1,2-diamine;4-hexoxy-6-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]benzene-1,3-dicarboxylic acid;4-methoxy-6-methylbenzene-1,3-dicarbonyl chloride;4-methoxy-6-methylbenzene-1,3-dicarboxylic acid;4-methylcyclohexan-1-amine;thionyl dichloride?
1-N,3-N-bis(4-aminocyclohexyl)-4-methoxy-6-methylbenzene-1,3-dicarboxamide;tert-butyl N-[5-[4-carbamoyl-2-[2-(dimethylamino)ethylcarbamoyl]-5-hexoxyphenoxy]pentyl]carbamate;tert-butyl N-[5-[2-carbamoyl-5-hexoxy-4-(propylcarbamoyl)phenoxy]pentyl]carbamate;tert-butyl N-[4-[[2-methoxy-4-methyl-5-[(4-methylcyclohexyl)carbamoyl]benzoyl]amino]cyclohexyl]carbamate;2-cyclohexyl-1-[5-(2-cyclohexylacetyl)-4-methoxy-2-methylphenyl]ethanone;5-[2-(dimethylamino)ethylcarbamoyl]-4-hexoxy-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]benzoic acid;N',N'-dimethylethane-1,2-diamine;4-hexoxy-6-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]benzene-1,3-dicarboxylic acid;4-methoxy-6-methylbenzene-1,3-dicarbonyl chloride;4-methoxy-6-methylbenzene-1,3-dicarboxylic acid;4-methylcyclohexan-1-amine;thionyl dichloride has a molecular weight of 4101.97 g/mol, XLogP of 38.32, 94 rotatable bonds, 23 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(4-aminocyclohexyl)-4-methoxy-6-methylbenzene-1,3-dicarboxamide;tert-butyl N-[5-[4-carbamoyl-2-[2-(dimethylamino)ethylcarbamoyl]-5-hexoxyphenoxy]pentyl]carbamate;tert-butyl N-[5-[2-carbamoyl-5-hexoxy-4-(propylcarbamoyl)phenoxy]pentyl]carbamate;tert-butyl N-[4-[[2-methoxy-4-methyl-5-[(4-methylcyclohexyl)carbamoyl]benzoyl]amino]cyclohexyl]carbamate;2-cyclohexyl-1-[5-(2-cyclohexylacetyl)-4-methoxy-2-methylphenyl]ethanone;5-[2-(dimethylamino)ethylcarbamoyl]-4-hexoxy-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]benzoic acid;N',N'-dimethylethane-1,2-diamine;4-hexoxy-6-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]benzene-1,3-dicarboxylic acid;4-methoxy-6-methylbenzene-1,3-dicarbonyl chloride;4-methoxy-6-methylbenzene-1,3-dicarboxylic acid;4-methylcyclohexan-1-amine;thionyl dichloride is sourced from PubChem (CID 158408103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).