4-[4-[(6-bromonaphthalene-2-carbonyl)amino]phenyl]cyclohexane-1-carboxylic acid;4-[4-(1H-indole-6-carbonylamino)phenyl]cyclohexane-1-carboxylic acid;methyl (2R)-1-[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexanecarbonyl]pyrrolidine-2-carboxylate;bis(methyl (2S)-1-[3-[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexyl]propanoyl]pyrrolidine-2-carboxylate);propan-2-yl 4-[4-(1H-indole-6-carbonylamino)phenyl]cyclohexane-1-carboxylate

C159H185BrN14O24 — CID 160832577

About 4-[4-[(6-bromonaphthalene-2-carbonyl)amino]phenyl]cyclohexane-1-carboxylic acid;4-[4-(1H-indole-6-carbonylamino)phenyl]cyclohexane-1-carboxylic acid;methyl (2R)-1-[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexanecarbonyl]pyrrolidine-2-carboxylate;bis(methyl (2S)-1-[3-[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexyl]propanoyl]pyrrolidine-2-carboxylate);propan-2-yl 4-[4-(1H-indole-6-carbonylamino)phenyl]cyclohexane-1-carboxylate

4-[4-[(6-bromonaphthalene-2-carbonyl)amino]phenyl]cyclohexane-1-carboxylic acid;4-[4-(1H-indole-6-carbonylamino)phenyl]cyclohexane-1-carboxylic acid;methyl (2R)-1-[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexanecarbonyl]pyrrolidine-2-carboxylate;bis(methyl (2S)-1-[3-[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexyl]propanoyl]pyrrolidine-2-carboxylate);propan-2-yl 4-[4-(1H-indole-6-carbonylamino)phenyl]cyclohexane-1-carboxylate (PubChem CID 160832577) has the molecular formula C159H185BrN14O24 and a molecular weight of 2756.21 g/mol. Its IUPAC name is 4-[4-[(6-bromonaphthalene-2-carbonyl)amino]phenyl]cyclohexane-1-carboxylic acid;4-[4-(1H-indole-6-carbonylamino)phenyl]cyclohexane-1-carboxylic acid;methyl (2R)-1-[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexanecarbonyl]pyrrolidine-2-carboxylate;bis(methyl (2S)-1-[3-[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexyl]propanoyl]pyrrolidine-2-carboxylate);propan-2-yl 4-[4-(1H-indole-6-carbonylamino)phenyl]cyclohexane-1-carboxylate.

Molecular Properties

• Compound Name: 4-[4-[(6-bromonaphthalene-2-carbonyl)amino]phenyl]cyclohexane-1-carboxylic acid;4-[4-(1H-indole-6-carbonylamino)phenyl]cyclohexane-1-carboxylic acid;methyl (2R)-1-[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexanecarbonyl]pyrrolidine-2-carboxylate;bis(methyl (2S)-1-[3-[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexyl]propanoyl]pyrrolidine-2-carboxylate);propan-2-yl 4-[4-(1H-indole-6-carbonylamino)phenyl]cyclohexane-1-carboxylate
• PubChem CID: 160832577
• Molecular Formula: C159H185BrN14O24
• Molecular Weight: 2756.21 g/mol
• Exact Mass: 2753.29
• IUPAC Name: 4-[4-[(6-bromonaphthalene-2-carbonyl)amino]phenyl]cyclohexane-1-carboxylic acid;4-[4-(1H-indole-6-carbonylamino)phenyl]cyclohexane-1-carboxylic acid;methyl (2R)-1-[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexanecarbonyl]pyrrolidine-2-carboxylate;bis(methyl (2S)-1-[3-[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexyl]propanoyl]pyrrolidine-2-carboxylate);propan-2-yl 4-[4-(1H-indole-6-carbonylamino)phenyl]cyclohexane-1-carboxylate
• SMILES: CC(C)OC(=O)C1CCC(c2ccc(NC(=O)c3ccc4cc[nH]c4c3)cc2)CC1.COC(=O)[C@@H]1CCCN1C(=O)CCC1CCC(c2ccc(NC(=O)Nc3cc(C)ccc3OC)cc2)CC1.COC(=O)[C@@H]1CCCN1C(=O)CCC1CCC(c2ccc(NC(=O)Nc3cc(C)ccc3OC)cc2)CC1.COC(=O)[C@H]1CCCN1C(=O)C1CCC(c2ccc(NC(=O)Nc3cc(C)ccc3OC)cc2)CC1.O=C(Nc1ccc(C2CCC(C(=O)O)CC2)cc1)c1ccc2cc(Br)ccc2c1.O=C(Nc1ccc(C2CCC(C(=O)O)CC2)cc1)c1ccc2cc[nH]c2c1
• InChI: InChI=1S/2C30H39N3O5.C28H35N3O5.C25H28N2O3.C24H22BrNO3.C22H22N2O3/c2*1-20-6-16-27(37-2)25(19-20)32-30(36)31-24-14-12-23(13-15-24)22-10-7-21(8-11-22)9-17-28(34)33-18-4-5-26(33)29(35)38-3;1-18-6-15-25(35-2)23(17-18)30-28(34)29-22-13-11-20(12-14-22)19-7-9-21(10-8-19)26(32)31-16-4-5-24(31)27(33)36-3;1-16(2)30-25(29)20-6-3-17(4-7-20)18-9-11-22(12-10-18)27-24(28)21-8-5-19-13-14-26-23(19)15-21;25-21-10-7-18-13-20(6-5-19(18)14-21)23(27)26-22-11-8-16(9-12-22)15-1-3-17(4-2-15)24(28)29;25-21(18-6-3-16-11-12-23-20(16)13-18)24-19-9-7-15(8-10-19)14-1-4-17(5-2-14)22(26)27/h2*6,12-16,19,21-22,26H,4-5,7-11,17-18H2,1-3H3,(H2,31,32,36);6,11-15,17,19,21,24H,4-5,7-10,16H2,1-3H3,(H2,29,30,34);5,8-17,20,26H,3-4,6-7H2,1-2H3,(H,27,28);5-15,17H,1-4H2,(H,26,27)(H,28,29);3,6-14,17,23H,1-2,4-5H2,(H,24,25)(H,26,27)/t2*21?,22?,26-;19?,21?,24-;;;/m001.../s1
• InChIKey: SGZKZWWGDZUMJD-CQDDKQTCSA-N
• XLogP: 33.45
• TPSA: 510.69 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 22
• Rotatable Bonds: 35
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2756.21
LogP ≤ 5	33.45
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(6-bromonaphthalene-2-carbonyl)amino]phenyl]cyclohexane-1-carboxylic acid;4-[4-(1H-indole-6-carbonylamino)phenyl]cyclohexane-1-carboxylic acid;methyl (2R)-1-[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexanecarbonyl]pyrrolidine-2-carboxylate;bis(methyl (2S)-1-[3-[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexyl]propanoyl]pyrrolidine-2-carboxylate);propan-2-yl 4-[4-(1H-indole-6-carbonylamino)phenyl]cyclohexane-1-carboxylate?

The IUPAC name of 4-[4-[(6-bromonaphthalene-2-carbonyl)amino]phenyl]cyclohexane-1-carboxylic acid;4-[4-(1H-indole-6-carbonylamino)phenyl]cyclohexane-1-carboxylic acid;methyl (2R)-1-[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexanecarbonyl]pyrrolidine-2-carboxylate;bis(methyl (2S)-1-[3-[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexyl]propanoyl]pyrrolidine-2-carboxylate);propan-2-yl 4-[4-(1H-indole-6-carbonylamino)phenyl]cyclohexane-1-carboxylate (CID 160832577) is 4-[4-[(6-bromonaphthalene-2-carbonyl)amino]phenyl]cyclohexane-1-carboxylic acid;4-[4-(1H-indole-6-carbonylamino)phenyl]cyclohexane-1-carboxylic acid;methyl (2R)-1-[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexanecarbonyl]pyrrolidine-2-carboxylate;bis(methyl (2S)-1-[3-[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexyl]propanoyl]pyrrolidine-2-carboxylate);propan-2-yl 4-[4-(1H-indole-6-carbonylamino)phenyl]cyclohexane-1-carboxylate.

What is the SMILES notation for 4-[4-[(6-bromonaphthalene-2-carbonyl)amino]phenyl]cyclohexane-1-carboxylic acid;4-[4-(1H-indole-6-carbonylamino)phenyl]cyclohexane-1-carboxylic acid;methyl (2R)-1-[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexanecarbonyl]pyrrolidine-2-carboxylate;bis(methyl (2S)-1-[3-[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexyl]propanoyl]pyrrolidine-2-carboxylate);propan-2-yl 4-[4-(1H-indole-6-carbonylamino)phenyl]cyclohexane-1-carboxylate?

The canonical SMILES for 4-[4-[(6-bromonaphthalene-2-carbonyl)amino]phenyl]cyclohexane-1-carboxylic acid;4-[4-(1H-indole-6-carbonylamino)phenyl]cyclohexane-1-carboxylic acid;methyl (2R)-1-[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexanecarbonyl]pyrrolidine-2-carboxylate;bis(methyl (2S)-1-[3-[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexyl]propanoyl]pyrrolidine-2-carboxylate);propan-2-yl 4-[4-(1H-indole-6-carbonylamino)phenyl]cyclohexane-1-carboxylate is CC(C)OC(=O)C1CCC(c2ccc(NC(=O)c3ccc4cc[nH]c4c3)cc2)CC1.COC(=O)[C@@H]1CCCN1C(=O)CCC1CCC(c2ccc(NC(=O)Nc3cc(C)ccc3OC)cc2)CC1.COC(=O)[C@@H]1CCCN1C(=O)CCC1CCC(c2ccc(NC(=O)Nc3cc(C)ccc3OC)cc2)CC1.COC(=O)[C@H]1CCCN1C(=O)C1CCC(c2ccc(NC(=O)Nc3cc(C)ccc3OC)cc2)CC1.O=C(Nc1ccc(C2CCC(C(=O)O)CC2)cc1)c1ccc2cc(Br)ccc2c1.O=C(Nc1ccc(C2CCC(C(=O)O)CC2)cc1)c1ccc2cc[nH]c2c1.

What is the InChIKey of 4-[4-[(6-bromonaphthalene-2-carbonyl)amino]phenyl]cyclohexane-1-carboxylic acid;4-[4-(1H-indole-6-carbonylamino)phenyl]cyclohexane-1-carboxylic acid;methyl (2R)-1-[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexanecarbonyl]pyrrolidine-2-carboxylate;bis(methyl (2S)-1-[3-[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexyl]propanoyl]pyrrolidine-2-carboxylate);propan-2-yl 4-[4-(1H-indole-6-carbonylamino)phenyl]cyclohexane-1-carboxylate?

The InChIKey is SGZKZWWGDZUMJD-CQDDKQTCSA-N. The full InChI is InChI=1S/2C30H39N3O5.C28H35N3O5.C25H28N2O3.C24H22BrNO3.C22H22N2O3/c2*1-20-6-16-27(37-2)25(19-20)32-30(36)31-24-14-12-23(13-15-24)22-10-7-21(8-11-22)9-17-28(34)33-18-4-5-26(33)29(35)38-3;1-18-6-15-25(35-2)23(17-18)30-28(34)29-22-13-11-20(12-14-22)19-7-9-21(10-8-19)26(32)31-16-4-5-24(31)27(33)36-3;1-16(2)30-25(29)20-6-3-17(4-7-20)18-9-11-22(12-10-18)27-24(28)21-8-5-19-13-14-26-23(19)15-21;25-21-10-7-18-13-20(6-5-19(18)14-21)23(27)26-22-11-8-16(9-12-22)15-1-3-17(4-2-15)24(28)29;25-21(18-6-3-16-11-12-23-20(16)13-18)24-19-9-7-15(8-10-19)14-1-4-17(5-2-14)22(26)27/h2*6,12-16,19,21-22,26H,4-5,7-11,17-18H2,1-3H3,(H2,31,32,36);6,11-15,17,19,21,24H,4-5,7-10,16H2,1-3H3,(H2,29,30,34);5,8-17,20,26H,3-4,6-7H2,1-2H3,(H,27,28);5-15,17H,1-4H2,(H,26,27)(H,28,29);3,6-14,17,23H,1-2,4-5H2,(H,24,25)(H,26,27)/t2*21?,22?,26-;19?,21?,24-;;;/m001.../s1.

What are the key properties of 4-[4-[(6-bromonaphthalene-2-carbonyl)amino]phenyl]cyclohexane-1-carboxylic acid;4-[4-(1H-indole-6-carbonylamino)phenyl]cyclohexane-1-carboxylic acid;methyl (2R)-1-[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexanecarbonyl]pyrrolidine-2-carboxylate;bis(methyl (2S)-1-[3-[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexyl]propanoyl]pyrrolidine-2-carboxylate);propan-2-yl 4-[4-(1H-indole-6-carbonylamino)phenyl]cyclohexane-1-carboxylate?

4-[4-[(6-bromonaphthalene-2-carbonyl)amino]phenyl]cyclohexane-1-carboxylic acid;4-[4-(1H-indole-6-carbonylamino)phenyl]cyclohexane-1-carboxylic acid;methyl (2R)-1-[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexanecarbonyl]pyrrolidine-2-carboxylate;bis(methyl (2S)-1-[3-[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexyl]propanoyl]pyrrolidine-2-carboxylate);propan-2-yl 4-[4-(1H-indole-6-carbonylamino)phenyl]cyclohexane-1-carboxylate has a molecular weight of 2756.21 g/mol, XLogP of 33.45, 35 rotatable bonds, 13 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[(6-bromonaphthalene-2-carbonyl)amino]phenyl]cyclohexane-1-carboxylic acid;4-[4-(1H-indole-6-carbonylamino)phenyl]cyclohexane-1-carboxylic acid;methyl (2R)-1-[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexanecarbonyl]pyrrolidine-2-carboxylate;bis(methyl (2S)-1-[3-[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexyl]propanoyl]pyrrolidine-2-carboxylate);propan-2-yl 4-[4-(1H-indole-6-carbonylamino)phenyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 160832577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).