4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-methoxypyrimidin-4-yl]benzamide;3-(hydroxymethyl)-N-[6-methoxy-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-(hydroxymethyl)-N-[6-methoxy-2-[(4-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methoxy-2-[(2-methylbenzoyl)amino]pyrimidin-4-yl]-2-methylbenzamide;N-[6-methoxy-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide;N-[6-methoxy-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide

C139H146N24O23 — CID 158252569

About 4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-methoxypyrimidin-4-yl]benzamide;3-(hydroxymethyl)-N-[6-methoxy-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-(hydroxymethyl)-N-[6-methoxy-2-[(4-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methoxy-2-[(2-methylbenzoyl)amino]pyrimidin-4-yl]-2-methylbenzamide;N-[6-methoxy-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide;N-[6-methoxy-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide

4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-methoxypyrimidin-4-yl]benzamide;3-(hydroxymethyl)-N-[6-methoxy-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-(hydroxymethyl)-N-[6-methoxy-2-[(4-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methoxy-2-[(2-methylbenzoyl)amino]pyrimidin-4-yl]-2-methylbenzamide;N-[6-methoxy-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide;N-[6-methoxy-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide (PubChem CID 158252569) has the molecular formula C139H146N24O23 and a molecular weight of 2520.84 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-methoxypyrimidin-4-yl]benzamide;3-(hydroxymethyl)-N-[6-methoxy-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-(hydroxymethyl)-N-[6-methoxy-2-[(4-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methoxy-2-[(2-methylbenzoyl)amino]pyrimidin-4-yl]-2-methylbenzamide;N-[6-methoxy-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide;N-[6-methoxy-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide.

Molecular Properties

• Compound Name: 4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-methoxypyrimidin-4-yl]benzamide;3-(hydroxymethyl)-N-[6-methoxy-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-(hydroxymethyl)-N-[6-methoxy-2-[(4-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methoxy-2-[(2-methylbenzoyl)amino]pyrimidin-4-yl]-2-methylbenzamide;N-[6-methoxy-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide;N-[6-methoxy-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide
• PubChem CID: 158252569
• Molecular Formula: C139H146N24O23
• Molecular Weight: 2520.84 g/mol
• Exact Mass: 2519.10
• IUPAC Name: 4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-methoxypyrimidin-4-yl]benzamide;3-(hydroxymethyl)-N-[6-methoxy-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-(hydroxymethyl)-N-[6-methoxy-2-[(4-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methoxy-2-[(2-methylbenzoyl)amino]pyrimidin-4-yl]-2-methylbenzamide;N-[6-methoxy-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide;N-[6-methoxy-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide
• SMILES: CCCCCCCCOc1ccc(C(=O)Nc2nc(NC(=O)c3ccc(C)cc3)cc(OC)n2)cc1.COc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)nc(NC(=O)c2ccc(C(C)(C)C)cc2)n1.COc1cc(NC(=O)c2ccc(C)cc2)nc(NC(=O)c2ccc(C)cc2)n1.COc1cc(NC(=O)c2ccccc2C)nc(NC(=O)c2ccccc2C)n1.COc1ccc(C(=O)Nc2nc(NC(=O)c3ccc(CO)cc3)cc(OC)n2)cc1.COc1cccc(C(=O)Nc2nc(NC(=O)c3cccc(CO)c3)cc(OC)n2)c1
• InChI: InChI=1S/C28H34N4O4.C27H32N4O3.2C21H20N4O5.2C21H20N4O3/c1-4-5-6-7-8-9-18-36-23-16-14-22(15-17-23)27(34)32-28-30-24(19-25(31-28)35-3)29-26(33)21-12-10-20(2)11-13-21;1-26(2,3)19-12-8-17(9-13-19)23(32)28-21-16-22(34-7)30-25(29-21)31-24(33)18-10-14-20(15-11-18)27(4,5)6;1-29-16-9-7-15(8-10-16)20(28)25-21-23-17(11-18(24-21)30-2)22-19(27)14-5-3-13(12-26)4-6-14;1-29-16-8-4-7-15(10-16)20(28)25-21-23-17(11-18(24-21)30-2)22-19(27)14-6-3-5-13(9-14)12-26;1-13-4-8-15(9-5-13)19(26)22-17-12-18(28-3)24-21(23-17)25-20(27)16-10-6-14(2)7-11-16;1-13-8-4-6-10-15(13)19(26)22-17-12-18(28-3)24-21(23-17)25-20(27)16-11-7-5-9-14(16)2/h10-17,19H,4-9,18H2,1-3H3,(H2,29,30,31,32,33,34);8-16H,1-7H3,(H2,28,29,30,31,32,33);2*3-11,26H,12H2,1-2H3,(H2,22,23,24,25,27,28);2*4-12H,1-3H3,(H2,22,23,24,25,26,27)
• InChIKey: GGWYQJXBRVLUJK-UHFFFAOYSA-N
• XLogP: 23.82
• TPSA: 627.41 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 35
• Rotatable Bonds: 42
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2520.84
LogP ≤ 5	23.82
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-methoxypyrimidin-4-yl]benzamide;3-(hydroxymethyl)-N-[6-methoxy-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-(hydroxymethyl)-N-[6-methoxy-2-[(4-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methoxy-2-[(2-methylbenzoyl)amino]pyrimidin-4-yl]-2-methylbenzamide;N-[6-methoxy-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide;N-[6-methoxy-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide?

The IUPAC name of 4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-methoxypyrimidin-4-yl]benzamide;3-(hydroxymethyl)-N-[6-methoxy-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-(hydroxymethyl)-N-[6-methoxy-2-[(4-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methoxy-2-[(2-methylbenzoyl)amino]pyrimidin-4-yl]-2-methylbenzamide;N-[6-methoxy-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide;N-[6-methoxy-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide (CID 158252569) is 4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-methoxypyrimidin-4-yl]benzamide;3-(hydroxymethyl)-N-[6-methoxy-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-(hydroxymethyl)-N-[6-methoxy-2-[(4-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methoxy-2-[(2-methylbenzoyl)amino]pyrimidin-4-yl]-2-methylbenzamide;N-[6-methoxy-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide;N-[6-methoxy-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide.

What is the SMILES notation for 4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-methoxypyrimidin-4-yl]benzamide;3-(hydroxymethyl)-N-[6-methoxy-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-(hydroxymethyl)-N-[6-methoxy-2-[(4-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methoxy-2-[(2-methylbenzoyl)amino]pyrimidin-4-yl]-2-methylbenzamide;N-[6-methoxy-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide;N-[6-methoxy-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide?

The canonical SMILES for 4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-methoxypyrimidin-4-yl]benzamide;3-(hydroxymethyl)-N-[6-methoxy-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-(hydroxymethyl)-N-[6-methoxy-2-[(4-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methoxy-2-[(2-methylbenzoyl)amino]pyrimidin-4-yl]-2-methylbenzamide;N-[6-methoxy-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide;N-[6-methoxy-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide is CCCCCCCCOc1ccc(C(=O)Nc2nc(NC(=O)c3ccc(C)cc3)cc(OC)n2)cc1.COc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)nc(NC(=O)c2ccc(C(C)(C)C)cc2)n1.COc1cc(NC(=O)c2ccc(C)cc2)nc(NC(=O)c2ccc(C)cc2)n1.COc1cc(NC(=O)c2ccccc2C)nc(NC(=O)c2ccccc2C)n1.COc1ccc(C(=O)Nc2nc(NC(=O)c3ccc(CO)cc3)cc(OC)n2)cc1.COc1cccc(C(=O)Nc2nc(NC(=O)c3cccc(CO)c3)cc(OC)n2)c1.

What is the InChIKey of 4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-methoxypyrimidin-4-yl]benzamide;3-(hydroxymethyl)-N-[6-methoxy-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-(hydroxymethyl)-N-[6-methoxy-2-[(4-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methoxy-2-[(2-methylbenzoyl)amino]pyrimidin-4-yl]-2-methylbenzamide;N-[6-methoxy-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide;N-[6-methoxy-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide?

The InChIKey is GGWYQJXBRVLUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O4.C27H32N4O3.2C21H20N4O5.2C21H20N4O3/c1-4-5-6-7-8-9-18-36-23-16-14-22(15-17-23)27(34)32-28-30-24(19-25(31-28)35-3)29-26(33)21-12-10-20(2)11-13-21;1-26(2,3)19-12-8-17(9-13-19)23(32)28-21-16-22(34-7)30-25(29-21)31-24(33)18-10-14-20(15-11-18)27(4,5)6;1-29-16-9-7-15(8-10-16)20(28)25-21-23-17(11-18(24-21)30-2)22-19(27)14-5-3-13(12-26)4-6-14;1-29-16-8-4-7-15(10-16)20(28)25-21-23-17(11-18(24-21)30-2)22-19(27)14-6-3-5-13(9-14)12-26;1-13-4-8-15(9-5-13)19(26)22-17-12-18(28-3)24-21(23-17)25-20(27)16-10-6-14(2)7-11-16;1-13-8-4-6-10-15(13)19(26)22-17-12-18(28-3)24-21(23-17)25-20(27)16-11-7-5-9-14(16)2/h10-17,19H,4-9,18H2,1-3H3,(H2,29,30,31,32,33,34);8-16H,1-7H3,(H2,28,29,30,31,32,33);2*3-11,26H,12H2,1-2H3,(H2,22,23,24,25,27,28);2*4-12H,1-3H3,(H2,22,23,24,25,26,27).

What are the key properties of 4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-methoxypyrimidin-4-yl]benzamide;3-(hydroxymethyl)-N-[6-methoxy-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-(hydroxymethyl)-N-[6-methoxy-2-[(4-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methoxy-2-[(2-methylbenzoyl)amino]pyrimidin-4-yl]-2-methylbenzamide;N-[6-methoxy-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide;N-[6-methoxy-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide?

4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-methoxypyrimidin-4-yl]benzamide;3-(hydroxymethyl)-N-[6-methoxy-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-(hydroxymethyl)-N-[6-methoxy-2-[(4-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methoxy-2-[(2-methylbenzoyl)amino]pyrimidin-4-yl]-2-methylbenzamide;N-[6-methoxy-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide;N-[6-methoxy-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide has a molecular weight of 2520.84 g/mol, XLogP of 23.82, 42 rotatable bonds, 14 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-methoxypyrimidin-4-yl]benzamide;3-(hydroxymethyl)-N-[6-methoxy-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-(hydroxymethyl)-N-[6-methoxy-2-[(4-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methoxy-2-[(2-methylbenzoyl)amino]pyrimidin-4-yl]-2-methylbenzamide;N-[6-methoxy-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide;N-[6-methoxy-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide is sourced from PubChem (CID 158252569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).