ethyl 3-[2-[(1R)-1-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]ethyl]-6-propan-2-yloxyphenyl]propanoate

C32H47NO5 — CID 58572688

About ethyl 3-[2-[(1R)-1-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]ethyl]-6-propan-2-yloxyphenyl]propanoate

ethyl 3-[2-[(1R)-1-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]ethyl]-6-propan-2-yloxyphenyl]propanoate (PubChem CID 58572688) has the molecular formula C32H47NO5 and a molecular weight of 525.73 g/mol. Its IUPAC name is ethyl 3-[2-[(1R)-1-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]ethyl]-6-propan-2-yloxyphenyl]propanoate.

Molecular Properties

• Compound Name: ethyl 3-[2-[(1R)-1-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]ethyl]-6-propan-2-yloxyphenyl]propanoate
• PubChem CID: 58572688
• Molecular Formula: C32H47NO5
• Molecular Weight: 525.73 g/mol
• Exact Mass: 525.35
• IUPAC Name: ethyl 3-[2-[(1R)-1-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]ethyl]-6-propan-2-yloxyphenyl]propanoate
• SMILES: CCOC(=O)CCc1c(OC(C)C)cccc1[C@@H](C)OC[C@H](O)CNC(C)(C)CC1Cc2ccccc2C1
• InChI: InChI=1S/C32H47NO5/c1-7-36-31(35)16-15-29-28(13-10-14-30(29)38-22(2)3)23(4)37-21-27(34)20-33-32(5,6)19-24-17-25-11-8-9-12-26(25)18-24/h8-14,22-24,27,33-34H,7,15-21H2,1-6H3/t23-,27-/m1/s1
• InChIKey: PBWMHGNRGPXEDA-YIXXDRMTSA-N
• XLogP: 5.58
• TPSA: 77.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.73
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-[(1R)-1-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]ethyl]-6-propan-2-yloxyphenyl]propanoate?

The IUPAC name of ethyl 3-[2-[(1R)-1-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]ethyl]-6-propan-2-yloxyphenyl]propanoate (CID 58572688) is ethyl 3-[2-[(1R)-1-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]ethyl]-6-propan-2-yloxyphenyl]propanoate.

What is the SMILES notation for ethyl 3-[2-[(1R)-1-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]ethyl]-6-propan-2-yloxyphenyl]propanoate?

The canonical SMILES for ethyl 3-[2-[(1R)-1-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]ethyl]-6-propan-2-yloxyphenyl]propanoate is CCOC(=O)CCc1c(OC(C)C)cccc1[C@@H](C)OC[C@H](O)CNC(C)(C)CC1Cc2ccccc2C1.

What is the InChIKey of ethyl 3-[2-[(1R)-1-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]ethyl]-6-propan-2-yloxyphenyl]propanoate?

The InChIKey is PBWMHGNRGPXEDA-YIXXDRMTSA-N. The full InChI is InChI=1S/C32H47NO5/c1-7-36-31(35)16-15-29-28(13-10-14-30(29)38-22(2)3)23(4)37-21-27(34)20-33-32(5,6)19-24-17-25-11-8-9-12-26(25)18-24/h8-14,22-24,27,33-34H,7,15-21H2,1-6H3/t23-,27-/m1/s1.

What are the key properties of ethyl 3-[2-[(1R)-1-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]ethyl]-6-propan-2-yloxyphenyl]propanoate?

ethyl 3-[2-[(1R)-1-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]ethyl]-6-propan-2-yloxyphenyl]propanoate has a molecular weight of 525.73 g/mol, XLogP of 5.58, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 3-[2-[(1R)-1-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]ethyl]-6-propan-2-yloxyphenyl]propanoate is sourced from PubChem (CID 58572688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).