2-[[2-(4-hydroxyphenyl)acetyl]amino]-3-(1H-indol-3-yl)-2-methyl-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide

C32H36N4O3 — CID 10208422

About 2-[[2-(4-hydroxyphenyl)acetyl]amino]-3-(1H-indol-3-yl)-2-methyl-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide

2-[[2-(4-hydroxyphenyl)acetyl]amino]-3-(1H-indol-3-yl)-2-methyl-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide (PubChem CID 10208422) has the molecular formula C32H36N4O3 and a molecular weight of 524.67 g/mol. Its IUPAC name is 2-[[2-(4-hydroxyphenyl)acetyl]amino]-3-(1H-indol-3-yl)-2-methyl-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide.

Molecular Properties

• Compound Name: 2-[[2-(4-hydroxyphenyl)acetyl]amino]-3-(1H-indol-3-yl)-2-methyl-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide
• PubChem CID: 10208422
• Molecular Formula: C32H36N4O3
• Molecular Weight: 524.67 g/mol
• Exact Mass: 524.28
• IUPAC Name: 2-[[2-(4-hydroxyphenyl)acetyl]amino]-3-(1H-indol-3-yl)-2-methyl-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide
• SMILES: CC(Cc1c[nH]c2ccccc12)(NC(=O)Cc1ccc(O)cc1)C(=O)NCC1(c2ccccn2)CCCCC1
• InChI: InChI=1S/C32H36N4O3/c1-31(20-24-21-34-27-10-4-3-9-26(24)27,36-29(38)19-23-12-14-25(37)15-13-23)30(39)35-22-32(16-6-2-7-17-32)28-11-5-8-18-33-28/h3-5,8-15,18,21,34,37H,2,6-7,16-17,19-20,22H2,1H3,(H,35,39)(H,36,38)
• InChIKey: LBMBSTWOMQGWJA-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 107.11 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.67
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-hydroxyphenyl)acetyl]amino]-3-(1H-indol-3-yl)-2-methyl-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide?

The IUPAC name of 2-[[2-(4-hydroxyphenyl)acetyl]amino]-3-(1H-indol-3-yl)-2-methyl-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide (CID 10208422) is 2-[[2-(4-hydroxyphenyl)acetyl]amino]-3-(1H-indol-3-yl)-2-methyl-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide.

What is the SMILES notation for 2-[[2-(4-hydroxyphenyl)acetyl]amino]-3-(1H-indol-3-yl)-2-methyl-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide?

The canonical SMILES for 2-[[2-(4-hydroxyphenyl)acetyl]amino]-3-(1H-indol-3-yl)-2-methyl-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide is CC(Cc1c[nH]c2ccccc12)(NC(=O)Cc1ccc(O)cc1)C(=O)NCC1(c2ccccn2)CCCCC1.

What is the InChIKey of 2-[[2-(4-hydroxyphenyl)acetyl]amino]-3-(1H-indol-3-yl)-2-methyl-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide?

The InChIKey is LBMBSTWOMQGWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O3/c1-31(20-24-21-34-27-10-4-3-9-26(24)27,36-29(38)19-23-12-14-25(37)15-13-23)30(39)35-22-32(16-6-2-7-17-32)28-11-5-8-18-33-28/h3-5,8-15,18,21,34,37H,2,6-7,16-17,19-20,22H2,1H3,(H,35,39)(H,36,38).

What are the key properties of 2-[[2-(4-hydroxyphenyl)acetyl]amino]-3-(1H-indol-3-yl)-2-methyl-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide?

2-[[2-(4-hydroxyphenyl)acetyl]amino]-3-(1H-indol-3-yl)-2-methyl-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide has a molecular weight of 524.67 g/mol, XLogP of 4.95, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(4-hydroxyphenyl)acetyl]amino]-3-(1H-indol-3-yl)-2-methyl-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide is sourced from PubChem (CID 10208422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).