[1-(dimethylamino)-3-hydroxypropan-2-yl] 4-oxopentanoate;1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;3-(dimethylamino)propane-1,2-diol;hydron;2-[2-(3-methoxyphenyl)ethyl]phenol;bis(oxolane-2,5-dione)

C82H115N4O23+ — CID 161305080

About [1-(dimethylamino)-3-hydroxypropan-2-yl] 4-oxopentanoate;1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;3-(dimethylamino)propane-1,2-diol;hydron;2-[2-(3-methoxyphenyl)ethyl]phenol;bis(oxolane-2,5-dione)

[1-(dimethylamino)-3-hydroxypropan-2-yl] 4-oxopentanoate;1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;3-(dimethylamino)propane-1,2-diol;hydron;2-[2-(3-methoxyphenyl)ethyl]phenol;bis(oxolane-2,5-dione) (PubChem CID 161305080) has the molecular formula C82H115N4O23+ and a molecular weight of 1524.83 g/mol. Its IUPAC name is [1-(dimethylamino)-3-hydroxypropan-2-yl] 4-oxopentanoate;1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;3-(dimethylamino)propane-1,2-diol;hydron;2-[2-(3-methoxyphenyl)ethyl]phenol;bis(oxolane-2,5-dione).

Molecular Properties

• Compound Name: [1-(dimethylamino)-3-hydroxypropan-2-yl] 4-oxopentanoate;1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;3-(dimethylamino)propane-1,2-diol;hydron;2-[2-(3-methoxyphenyl)ethyl]phenol;bis(oxolane-2,5-dione)
• PubChem CID: 161305080
• Molecular Formula: C82H115N4O23+
• Molecular Weight: 1524.83 g/mol
• Exact Mass: 1523.79
• IUPAC Name: [1-(dimethylamino)-3-hydroxypropan-2-yl] 4-oxopentanoate;1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;3-(dimethylamino)propane-1,2-diol;hydron;2-[2-(3-methoxyphenyl)ethyl]phenol;bis(oxolane-2,5-dione)
• SMILES: CC(=O)CCC(=O)OC(CO)CN(C)C.CN(C)CC(O)CO.COc1cccc(CCc2ccccc2O)c1.COc1cccc(CCc2ccccc2OCC(CN(C)C)OC(=O)CCC(=O)O)c1.COc1cccc(CCc2ccccc2OCC(O)CN(C)C)c1.O=C1CCC(=O)O1.O=C1CCC(=O)O1.[H+]
• InChI: InChI=1S/C24H31NO6.C20H27NO3.C15H16O2.C10H19NO4.C5H13NO2.2C4H4O3/c1-25(2)16-21(31-24(28)14-13-23(26)27)17-30-22-10-5-4-8-19(22)12-11-18-7-6-9-20(15-18)29-3;1-21(2)14-18(22)15-24-20-10-5-4-8-17(20)12-11-16-7-6-9-19(13-16)23-3;1-17-14-7-4-5-12(11-14)9-10-13-6-2-3-8-15(13)16;1-8(13)4-5-10(14)15-9(7-12)6-11(2)3;1-6(2)3-5(8)4-7;2*5-3-1-2-4(6)7-3/h4-10,15,21H,11-14,16-17H2,1-3H3,(H,26,27);4-10,13,18,22H,11-12,14-15H2,1-3H3;2-8,11,16H,9-10H2,1H3;9,12H,4-7H2,1-3H3;5,7-8H,3-4H2,1-2H3;2*1-2H2/p+1
• InChIKey: VIDGWGJUYNUCRP-UHFFFAOYSA-O
• XLogP: 7.70
• TPSA: 353.97 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 36
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1524.83
LogP ≤ 5	7.70
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)-3-hydroxypropan-2-yl] 4-oxopentanoate;1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;3-(dimethylamino)propane-1,2-diol;hydron;2-[2-(3-methoxyphenyl)ethyl]phenol;bis(oxolane-2,5-dione)?

The IUPAC name of [1-(dimethylamino)-3-hydroxypropan-2-yl] 4-oxopentanoate;1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;3-(dimethylamino)propane-1,2-diol;hydron;2-[2-(3-methoxyphenyl)ethyl]phenol;bis(oxolane-2,5-dione) (CID 161305080) is [1-(dimethylamino)-3-hydroxypropan-2-yl] 4-oxopentanoate;1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;3-(dimethylamino)propane-1,2-diol;hydron;2-[2-(3-methoxyphenyl)ethyl]phenol;bis(oxolane-2,5-dione).

What is the SMILES notation for [1-(dimethylamino)-3-hydroxypropan-2-yl] 4-oxopentanoate;1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;3-(dimethylamino)propane-1,2-diol;hydron;2-[2-(3-methoxyphenyl)ethyl]phenol;bis(oxolane-2,5-dione)?

The canonical SMILES for [1-(dimethylamino)-3-hydroxypropan-2-yl] 4-oxopentanoate;1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;3-(dimethylamino)propane-1,2-diol;hydron;2-[2-(3-methoxyphenyl)ethyl]phenol;bis(oxolane-2,5-dione) is CC(=O)CCC(=O)OC(CO)CN(C)C.CN(C)CC(O)CO.COc1cccc(CCc2ccccc2O)c1.COc1cccc(CCc2ccccc2OCC(CN(C)C)OC(=O)CCC(=O)O)c1.COc1cccc(CCc2ccccc2OCC(O)CN(C)C)c1.O=C1CCC(=O)O1.O=C1CCC(=O)O1.[H+].

What is the InChIKey of [1-(dimethylamino)-3-hydroxypropan-2-yl] 4-oxopentanoate;1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;3-(dimethylamino)propane-1,2-diol;hydron;2-[2-(3-methoxyphenyl)ethyl]phenol;bis(oxolane-2,5-dione)?

The InChIKey is VIDGWGJUYNUCRP-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H31NO6.C20H27NO3.C15H16O2.C10H19NO4.C5H13NO2.2C4H4O3/c1-25(2)16-21(31-24(28)14-13-23(26)27)17-30-22-10-5-4-8-19(22)12-11-18-7-6-9-20(15-18)29-3;1-21(2)14-18(22)15-24-20-10-5-4-8-17(20)12-11-16-7-6-9-19(13-16)23-3;1-17-14-7-4-5-12(11-14)9-10-13-6-2-3-8-15(13)16;1-8(13)4-5-10(14)15-9(7-12)6-11(2)3;1-6(2)3-5(8)4-7;2*5-3-1-2-4(6)7-3/h4-10,15,21H,11-14,16-17H2,1-3H3,(H,26,27);4-10,13,18,22H,11-12,14-15H2,1-3H3;2-8,11,16H,9-10H2,1H3;9,12H,4-7H2,1-3H3;5,7-8H,3-4H2,1-2H3;2*1-2H2/p+1.

What are the key properties of [1-(dimethylamino)-3-hydroxypropan-2-yl] 4-oxopentanoate;1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;3-(dimethylamino)propane-1,2-diol;hydron;2-[2-(3-methoxyphenyl)ethyl]phenol;bis(oxolane-2,5-dione)?

[1-(dimethylamino)-3-hydroxypropan-2-yl] 4-oxopentanoate;1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;3-(dimethylamino)propane-1,2-diol;hydron;2-[2-(3-methoxyphenyl)ethyl]phenol;bis(oxolane-2,5-dione) has a molecular weight of 1524.83 g/mol, XLogP of 7.70, 36 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(dimethylamino)-3-hydroxypropan-2-yl] 4-oxopentanoate;1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;3-(dimethylamino)propane-1,2-diol;hydron;2-[2-(3-methoxyphenyl)ethyl]phenol;bis(oxolane-2,5-dione) is sourced from PubChem (CID 161305080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).