4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(6-propan-2-yl-3-pyridinyl)phenyl]cyclohexane-1-carboxamide

C36H46N2O3 — CID 142430671

About 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(6-propan-2-yl-3-pyridinyl)phenyl]cyclohexane-1-carboxamide

4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(6-propan-2-yl-3-pyridinyl)phenyl]cyclohexane-1-carboxamide (PubChem CID 142430671) has the molecular formula C36H46N2O3 and a molecular weight of 554.78 g/mol. Its IUPAC name is 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(6-propan-2-yl-3-pyridinyl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(6-propan-2-yl-3-pyridinyl)phenyl]cyclohexane-1-carboxamide
• PubChem CID: 142430671
• Molecular Formula: C36H46N2O3
• Molecular Weight: 554.78 g/mol
• Exact Mass: 554.35
• IUPAC Name: 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(6-propan-2-yl-3-pyridinyl)phenyl]cyclohexane-1-carboxamide
• SMILES: COc1ccc(C2CCC(CN(C(=O)C3CCC(O)CC3)c3cccc(-c4ccc(C(C)C)nc4)c3)CC2)cc1C
• InChI: InChI=1S/C36H46N2O3/c1-24(2)34-18-14-31(22-37-34)29-6-5-7-32(21-29)38(36(40)28-12-16-33(39)17-13-28)23-26-8-10-27(11-9-26)30-15-19-35(41-4)25(3)20-30/h5-7,14-15,18-22,24,26-28,33,39H,8-13,16-17,23H2,1-4H3
• InChIKey: OUOKLNZJPZRISX-UHFFFAOYSA-N
• XLogP: 8.05
• TPSA: 62.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.78
LogP ≤ 5	8.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(6-propan-2-yl-3-pyridinyl)phenyl]cyclohexane-1-carboxamide?

The IUPAC name of 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(6-propan-2-yl-3-pyridinyl)phenyl]cyclohexane-1-carboxamide (CID 142430671) is 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(6-propan-2-yl-3-pyridinyl)phenyl]cyclohexane-1-carboxamide.

What is the SMILES notation for 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(6-propan-2-yl-3-pyridinyl)phenyl]cyclohexane-1-carboxamide?

The canonical SMILES for 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(6-propan-2-yl-3-pyridinyl)phenyl]cyclohexane-1-carboxamide is COc1ccc(C2CCC(CN(C(=O)C3CCC(O)CC3)c3cccc(-c4ccc(C(C)C)nc4)c3)CC2)cc1C.

What is the InChIKey of 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(6-propan-2-yl-3-pyridinyl)phenyl]cyclohexane-1-carboxamide?

The InChIKey is OUOKLNZJPZRISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H46N2O3/c1-24(2)34-18-14-31(22-37-34)29-6-5-7-32(21-29)38(36(40)28-12-16-33(39)17-13-28)23-26-8-10-27(11-9-26)30-15-19-35(41-4)25(3)20-30/h5-7,14-15,18-22,24,26-28,33,39H,8-13,16-17,23H2,1-4H3.

What are the key properties of 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(6-propan-2-yl-3-pyridinyl)phenyl]cyclohexane-1-carboxamide?

4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(6-propan-2-yl-3-pyridinyl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 554.78 g/mol, XLogP of 8.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(6-propan-2-yl-3-pyridinyl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 142430671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).