N-[3-cyclohexyl-1-[[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)-3-morpholin-4-ylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-methoxybenzamide

C32H43FN4O4 — CID 69195423

About N-[3-cyclohexyl-1-[[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)-3-morpholin-4-ylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-methoxybenzamide

N-[3-cyclohexyl-1-[[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)-3-morpholin-4-ylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-methoxybenzamide (PubChem CID 69195423) has the molecular formula C32H43FN4O4 and a molecular weight of 566.72 g/mol. Its IUPAC name is N-[3-cyclohexyl-1-[[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)-3-morpholin-4-ylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-methoxybenzamide.

Molecular Properties

• Compound Name: N-[3-cyclohexyl-1-[[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)-3-morpholin-4-ylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-methoxybenzamide
• PubChem CID: 69195423
• Molecular Formula: C32H43FN4O4
• Molecular Weight: 566.72 g/mol
• Exact Mass: 566.33
• IUPAC Name: N-[3-cyclohexyl-1-[[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)-3-morpholin-4-ylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-methoxybenzamide
• SMILES: COc1cccc(C(=O)NC(CC2CCCCC2)C(=O)N[C@@H](CN2CCOCC2)CN2CCc3cc(F)ccc32)c1
• InChI: InChI=1S/C32H43FN4O4/c1-40-28-9-5-8-25(20-28)31(38)35-29(18-23-6-3-2-4-7-23)32(39)34-27(21-36-14-16-41-17-15-36)22-37-13-12-24-19-26(33)10-11-30(24)37/h5,8-11,19-20,23,27,29H,2-4,6-7,12-18,21-22H2,1H3,(H,34,39)(H,35,38)/t27-,29?/m0/s1
• InChIKey: DTZOIXDIFPFLIV-BVOOQYFDSA-N
• XLogP: 3.78
• TPSA: 83.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	566.72
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclohexyl-1-[[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)-3-morpholin-4-ylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-methoxybenzamide?

The IUPAC name of N-[3-cyclohexyl-1-[[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)-3-morpholin-4-ylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-methoxybenzamide (CID 69195423) is N-[3-cyclohexyl-1-[[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)-3-morpholin-4-ylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-methoxybenzamide.

What is the SMILES notation for N-[3-cyclohexyl-1-[[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)-3-morpholin-4-ylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-methoxybenzamide?

The canonical SMILES for N-[3-cyclohexyl-1-[[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)-3-morpholin-4-ylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-methoxybenzamide is COc1cccc(C(=O)NC(CC2CCCCC2)C(=O)N[C@@H](CN2CCOCC2)CN2CCc3cc(F)ccc32)c1.

What is the InChIKey of N-[3-cyclohexyl-1-[[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)-3-morpholin-4-ylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-methoxybenzamide?

The InChIKey is DTZOIXDIFPFLIV-BVOOQYFDSA-N. The full InChI is InChI=1S/C32H43FN4O4/c1-40-28-9-5-8-25(20-28)31(38)35-29(18-23-6-3-2-4-7-23)32(39)34-27(21-36-14-16-41-17-15-36)22-37-13-12-24-19-26(33)10-11-30(24)37/h5,8-11,19-20,23,27,29H,2-4,6-7,12-18,21-22H2,1H3,(H,34,39)(H,35,38)/t27-,29?/m0/s1.

What are the key properties of N-[3-cyclohexyl-1-[[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)-3-morpholin-4-ylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-methoxybenzamide?

N-[3-cyclohexyl-1-[[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)-3-morpholin-4-ylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-methoxybenzamide has a molecular weight of 566.72 g/mol, XLogP of 3.78, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-cyclohexyl-1-[[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)-3-morpholin-4-ylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-methoxybenzamide is sourced from PubChem (CID 69195423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).