4-[[(4-tert-butylcyclohexyl)-[(3,5-dibromophenyl)carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[(4-tert-butylcyclohexyl)-[(3,5-dimethylphenyl)carbamoyl]amino]methyl]benzoyl]amino]propanoic acid;4-[[(4-tert-butylcyclohexyl)-[(3,5-dimethylphenyl)carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[4-cyclohexyl-N-[(3,5-dimethylphenyl)carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid

C116H146Br2N20O12 — CID 158825300

IUPAC4-[[(4-tert-butylcyclohexyl)-[(3,5-dibromophenyl)carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[(4-tert-butylcyclohexyl)-[(3,5-dimethylphenyl)carbamoyl]amino]methyl]benzoyl]amino]propanoic acid;4-[[(4-tert-butylcyclohexyl)-[(3,5-dimethylphenyl)carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[4-cyclohexyl-N-[(3,5-dimethylphenyl)carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid
SMILESCC(C)(C)C1CCC(N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)C(=O)Nc2cc(Br)cc(Br)c2)CC1.Cc1cc(C)cc(NC(=O)N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C2CCC(C(C)(C)C)CC2)c1.Cc1cc(C)cc(NC(=O)N(Cc2ccc(C(=O)NCCC(=O)O)cc2)c2ccc(C3CCCCC3)cc2)c1.Cc1cc(C)cc(NC(=O)N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)C2CCC(C(C)(C)C)CC2)c1
InChIInChI=1S/C32H37N3O4.C30H41N3O4.C28H37N7O2.C26H31Br2N7O2/c1-22-18-23(2)20-28(19-22)34-32(39)35(29-14-12-26(13-15-29)25-6-4-3-5-7-25)21-24-8-10-27(11-9-24)31(38)33-17-16-30(36)37;1-20-16-21(2)18-25(17-20)32-29(37)33(26-12-10-24(11-13-26)30(3,4)5)19-22-6-8-23(9-7-22)28(36)31-15-14-27(34)35;1-18-14-19(2)16-23(15-18)29-27(37)35(24-12-10-22(11-13-24)28(3,4)5)17-20-6-8-21(9-7-20)25(36)30-26-31-33-34-32-26;1-26(2,3)18-8-10-22(11-9-18)35(25(37)29-21-13-19(27)12-20(28)14-21)15-16-4-6-17(7-5-16)23(36)30-24-31-33-34-32-24/h8-15,18-20,25H,3-7,16-17,21H2,1-2H3,(H,33,38)(H,34,39)(H,36,37);6-9,16-18,24,26H,10-15,19H2,1-5H3,(H,31,36)(H,32,37)(H,34,35);6-9,14-16,22,24H,10-13,17H2,1-5H3,(H,29,37)(H2,30,31,32,33,34,36);4-7,12-14,18,22H,8-11,15H2,1-3H3,(H,29,37)(H2,30,31,32,33,34,36)
InChIKeyIWJPLXQOUYSUNW-UHFFFAOYSA-N
MW2172.38 g/mol
LogP25.27
Rot. Bonds29

About 4-[[(4-tert-butylcyclohexyl)-[(3,5-dibromophenyl)carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[(4-tert-butylcyclohexyl)-[(3,5-dimethylphenyl)carbamoyl]amino]methyl]benzoyl]amino]propanoic acid;4-[[(4-tert-butylcyclohexyl)-[(3,5-dimethylphenyl)carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[4-cyclohexyl-N-[(3,5-dimethylphenyl)carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid

4-[[(4-tert-butylcyclohexyl)-[(3,5-dibromophenyl)carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[(4-tert-butylcyclohexyl)-[(3,5-dimethylphenyl)carbamoyl]amino]methyl]benzoyl]amino]propanoic acid;4-[[(4-tert-butylcyclohexyl)-[(3,5-dimethylphenyl)carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[4-cyclohexyl-N-[(3,5-dimethylphenyl)carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid (PubChem CID 158825300) has the molecular formula C116H146Br2N20O12 and a molecular weight of 2172.38 g/mol. Its IUPAC name is 4-[[(4-tert-butylcyclohexyl)-[(3,5-dibromophenyl)carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[(4-tert-butylcyclohexyl)-[(3,5-dimethylphenyl)carbamoyl]amino]methyl]benzoyl]amino]propanoic acid;4-[[(4-tert-butylcyclohexyl)-[(3,5-dimethylphenyl)carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[4-cyclohexyl-N-[(3,5-dimethylphenyl)carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name4-[[(4-tert-butylcyclohexyl)-[(3,5-dibromophenyl)carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[(4-tert-butylcyclohexyl)-[(3,5-dimethylphenyl)carbamoyl]amino]methyl]benzoyl]amino]propanoic acid;4-[[(4-tert-butylcyclohexyl)-[(3,5-dimethylphenyl)carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[4-cyclohexyl-N-[(3,5-dimethylphenyl)carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid
PubChem CID158825300
Molecular FormulaC116H146Br2N20O12
Molecular Weight2172.38 g/mol
Exact Mass2168.98
IUPAC Name4-[[(4-tert-butylcyclohexyl)-[(3,5-dibromophenyl)carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[(4-tert-butylcyclohexyl)-[(3,5-dimethylphenyl)carbamoyl]amino]methyl]benzoyl]amino]propanoic acid;4-[[(4-tert-butylcyclohexyl)-[(3,5-dimethylphenyl)carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[4-cyclohexyl-N-[(3,5-dimethylphenyl)carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid
SMILESCC(C)(C)C1CCC(N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)C(=O)Nc2cc(Br)cc(Br)c2)CC1.Cc1cc(C)cc(NC(=O)N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C2CCC(C(C)(C)C)CC2)c1.Cc1cc(C)cc(NC(=O)N(Cc2ccc(C(=O)NCCC(=O)O)cc2)c2ccc(C3CCCCC3)cc2)c1.Cc1cc(C)cc(NC(=O)N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)C2CCC(C(C)(C)C)CC2)c1
InChIInChI=1S/C32H37N3O4.C30H41N3O4.C28H37N7O2.C26H31Br2N7O2/c1-22-18-23(2)20-28(19-22)34-32(39)35(29-14-12-26(13-15-29)25-6-4-3-5-7-25)21-24-8-10-27(11-9-24)31(38)33-17-16-30(36)37;1-20-16-21(2)18-25(17-20)32-29(37)33(26-12-10-24(11-13-26)30(3,4)5)19-22-6-8-23(9-7-22)28(36)31-15-14-27(34)35;1-18-14-19(2)16-23(15-18)29-27(37)35(24-12-10-22(11-13-24)28(3,4)5)17-20-6-8-21(9-7-20)25(36)30-26-31-33-34-32-26;1-26(2,3)18-8-10-22(11-9-18)35(25(37)29-21-13-19(27)12-20(28)14-21)15-16-4-6-17(7-5-16)23(36)30-24-31-33-34-32-24/h8-15,18-20,25H,3-7,16-17,21H2,1-2H3,(H,33,38)(H,34,39)(H,36,37);6-9,16-18,24,26H,10-15,19H2,1-5H3,(H,31,36)(H,32,37)(H,34,35);6-9,14-16,22,24H,10-13,17H2,1-5H3,(H,29,37)(H2,30,31,32,33,34,36);4-7,12-14,18,22H,8-11,15H2,1-3H3,(H,29,37)(H2,30,31,32,33,34,36)
InChIKeyIWJPLXQOUYSUNW-UHFFFAOYSA-N
XLogP25.27
TPSA429.28 Ų
H-Bond Donors12
H-Bond Acceptors16
Rotatable Bonds29
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002172.38
LogP ≤ 525.27
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1016

Analyze 4-[[(4-tert-butylcyclohexyl)-[(3,5-dibromophenyl)carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[(4-tert-butylcyclohexyl)-[(3,5-dimethylphenyl)carbamoyl]amino]methyl]benzoyl]amino]propanoic acid;4-[[(4-tert-butylcyclohexyl)-[(3,5-dimethylphenyl)carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[4-cyclohexyl-N-[(3,5-dimethylphenyl)carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4-tert-butylcyclohexyl)-[(3,5-dibromophenyl)carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[(4-tert-butylcyclohexyl)-[(3,5-dimethylphenyl)carbamoyl]amino]methyl]benzoyl]amino]propanoic acid;4-[[(4-tert-butylcyclohexyl)-[(3,5-dimethylphenyl)carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[4-cyclohexyl-N-[(3,5-dimethylphenyl)carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid?
The IUPAC name of 4-[[(4-tert-butylcyclohexyl)-[(3,5-dibromophenyl)carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[(4-tert-butylcyclohexyl)-[(3,5-dimethylphenyl)carbamoyl]amino]methyl]benzoyl]amino]propanoic acid;4-[[(4-tert-butylcyclohexyl)-[(3,5-dimethylphenyl)carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[4-cyclohexyl-N-[(3,5-dimethylphenyl)carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid (CID 158825300) is 4-[[(4-tert-butylcyclohexyl)-[(3,5-dibromophenyl)carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[(4-tert-butylcyclohexyl)-[(3,5-dimethylphenyl)carbamoyl]amino]methyl]benzoyl]amino]propanoic acid;4-[[(4-tert-butylcyclohexyl)-[(3,5-dimethylphenyl)carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[4-cyclohexyl-N-[(3,5-dimethylphenyl)carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid.
What is the SMILES notation for 4-[[(4-tert-butylcyclohexyl)-[(3,5-dibromophenyl)carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[(4-tert-butylcyclohexyl)-[(3,5-dimethylphenyl)carbamoyl]amino]methyl]benzoyl]amino]propanoic acid;4-[[(4-tert-butylcyclohexyl)-[(3,5-dimethylphenyl)carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[4-cyclohexyl-N-[(3,5-dimethylphenyl)carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid?
The canonical SMILES for 4-[[(4-tert-butylcyclohexyl)-[(3,5-dibromophenyl)carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[(4-tert-butylcyclohexyl)-[(3,5-dimethylphenyl)carbamoyl]amino]methyl]benzoyl]amino]propanoic acid;4-[[(4-tert-butylcyclohexyl)-[(3,5-dimethylphenyl)carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[4-cyclohexyl-N-[(3,5-dimethylphenyl)carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid is CC(C)(C)C1CCC(N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)C(=O)Nc2cc(Br)cc(Br)c2)CC1.Cc1cc(C)cc(NC(=O)N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C2CCC(C(C)(C)C)CC2)c1.Cc1cc(C)cc(NC(=O)N(Cc2ccc(C(=O)NCCC(=O)O)cc2)c2ccc(C3CCCCC3)cc2)c1.Cc1cc(C)cc(NC(=O)N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)C2CCC(C(C)(C)C)CC2)c1.
What is the InChIKey of 4-[[(4-tert-butylcyclohexyl)-[(3,5-dibromophenyl)carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[(4-tert-butylcyclohexyl)-[(3,5-dimethylphenyl)carbamoyl]amino]methyl]benzoyl]amino]propanoic acid;4-[[(4-tert-butylcyclohexyl)-[(3,5-dimethylphenyl)carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[4-cyclohexyl-N-[(3,5-dimethylphenyl)carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid?
The InChIKey is IWJPLXQOUYSUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O4.C30H41N3O4.C28H37N7O2.C26H31Br2N7O2/c1-22-18-23(2)20-28(19-22)34-32(39)35(29-14-12-26(13-15-29)25-6-4-3-5-7-25)21-24-8-10-27(11-9-24)31(38)33-17-16-30(36)37;1-20-16-21(2)18-25(17-20)32-29(37)33(26-12-10-24(11-13-26)30(3,4)5)19-22-6-8-23(9-7-22)28(36)31-15-14-27(34)35;1-18-14-19(2)16-23(15-18)29-27(37)35(24-12-10-22(11-13-24)28(3,4)5)17-20-6-8-21(9-7-20)25(36)30-26-31-33-34-32-26;1-26(2,3)18-8-10-22(11-9-18)35(25(37)29-21-13-19(27)12-20(28)14-21)15-16-4-6-17(7-5-16)23(36)30-24-31-33-34-32-24/h8-15,18-20,25H,3-7,16-17,21H2,1-2H3,(H,33,38)(H,34,39)(H,36,37);6-9,16-18,24,26H,10-15,19H2,1-5H3,(H,31,36)(H,32,37)(H,34,35);6-9,14-16,22,24H,10-13,17H2,1-5H3,(H,29,37)(H2,30,31,32,33,34,36);4-7,12-14,18,22H,8-11,15H2,1-3H3,(H,29,37)(H2,30,31,32,33,34,36).
What are the key properties of 4-[[(4-tert-butylcyclohexyl)-[(3,5-dibromophenyl)carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[(4-tert-butylcyclohexyl)-[(3,5-dimethylphenyl)carbamoyl]amino]methyl]benzoyl]amino]propanoic acid;4-[[(4-tert-butylcyclohexyl)-[(3,5-dimethylphenyl)carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[4-cyclohexyl-N-[(3,5-dimethylphenyl)carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid?
4-[[(4-tert-butylcyclohexyl)-[(3,5-dibromophenyl)carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[(4-tert-butylcyclohexyl)-[(3,5-dimethylphenyl)carbamoyl]amino]methyl]benzoyl]amino]propanoic acid;4-[[(4-tert-butylcyclohexyl)-[(3,5-dimethylphenyl)carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[4-cyclohexyl-N-[(3,5-dimethylphenyl)carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid has a molecular weight of 2172.38 g/mol, XLogP of 25.27, 29 rotatable bonds, 12 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-tert-butylcyclohexyl)-[(3,5-dibromophenyl)carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[(4-tert-butylcyclohexyl)-[(3,5-dimethylphenyl)carbamoyl]amino]methyl]benzoyl]amino]propanoic acid;4-[[(4-tert-butylcyclohexyl)-[(3,5-dimethylphenyl)carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[4-cyclohexyl-N-[(3,5-dimethylphenyl)carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid is sourced from PubChem (CID 158825300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).