bis([2-[(2-butoxyacetyl)amino]-7-[[2-(4-hydroxybutan-2-yloxy)acetyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate);[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-5-[4-(4-hydroxybutan-2-yloxy)butanoyl]-9H-fluoren-9-yl]methyl N-methylcarbamate;[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-7-[[5-[2-(4-hydroxybutan-2-yloxy)ethylamino]-5-oxopentanoyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate;methanesulfonic acid

C130H182N14O34S — CID 160503038

About bis([2-[(2-butoxyacetyl)amino]-7-[[2-(4-hydroxybutan-2-yloxy)acetyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate);[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-5-[4-(4-hydroxybutan-2-yloxy)butanoyl]-9H-fluoren-9-yl]methyl N-methylcarbamate;[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-7-[[5-[2-(4-hydroxybutan-2-yloxy)ethylamino]-5-oxopentanoyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate;methanesulfonic acid

bis([2-[(2-butoxyacetyl)amino]-7-[[2-(4-hydroxybutan-2-yloxy)acetyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate);[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-5-[4-(4-hydroxybutan-2-yloxy)butanoyl]-9H-fluoren-9-yl]methyl N-methylcarbamate;[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-7-[[5-[2-(4-hydroxybutan-2-yloxy)ethylamino]-5-oxopentanoyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate;methanesulfonic acid (PubChem CID 160503038) has the molecular formula C130H182N14O34S and a molecular weight of 2517.02 g/mol. Its IUPAC name is bis([2-[(2-butoxyacetyl)amino]-7-[[2-(4-hydroxybutan-2-yloxy)acetyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate);[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-5-[4-(4-hydroxybutan-2-yloxy)butanoyl]-9H-fluoren-9-yl]methyl N-methylcarbamate;[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-7-[[5-[2-(4-hydroxybutan-2-yloxy)ethylamino]-5-oxopentanoyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate;methanesulfonic acid.

Molecular Properties

• Compound Name: bis([2-[(2-butoxyacetyl)amino]-7-[[2-(4-hydroxybutan-2-yloxy)acetyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate);[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-5-[4-(4-hydroxybutan-2-yloxy)butanoyl]-9H-fluoren-9-yl]methyl N-methylcarbamate;[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-7-[[5-[2-(4-hydroxybutan-2-yloxy)ethylamino]-5-oxopentanoyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate;methanesulfonic acid
• PubChem CID: 160503038
• Molecular Formula: C130H182N14O34S
• Molecular Weight: 2517.02 g/mol
• Exact Mass: 2515.27
• IUPAC Name: bis([2-[(2-butoxyacetyl)amino]-7-[[2-(4-hydroxybutan-2-yloxy)acetyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate);[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-5-[4-(4-hydroxybutan-2-yloxy)butanoyl]-9H-fluoren-9-yl]methyl N-methylcarbamate;[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-7-[[5-[2-(4-hydroxybutan-2-yloxy)ethylamino]-5-oxopentanoyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate;methanesulfonic acid
• SMILES: CCCCOCC(=O)Nc1ccc2c(c1)C(COC(=O)NC)c1cc(NC(=O)COC(C)CCO)ccc1-2.CCCCOCC(=O)Nc1ccc2c(c1)C(COC(=O)NC)c1cc(NC(=O)COC(C)CCO)ccc1-2.CCCCOCCNC(=O)CCCC(=O)Nc1ccc2c(c1)C(COC(=O)NC)c1cc(NC(=O)CCCC(=O)NCCOC(C)CCO)ccc1-2.CCCCOCCNC(=O)CCCC(=O)Nc1ccc2c(c1)C(COC(=O)NC)c1cccc(C(=O)CCCOC(C)CCO)c1-2.CS(=O)(=O)O
• InChI: InChI=1S/C38H55N5O9.C35H49N3O8.2C28H37N3O7.CH4O3S/c1-4-5-20-50-21-17-40-34(45)8-6-10-36(47)42-27-12-14-29-30-15-13-28(24-32(30)33(31(29)23-27)25-52-38(49)39-3)43-37(48)11-7-9-35(46)41-18-22-51-26(2)16-19-44;1-4-5-19-44-21-17-37-32(41)12-7-13-33(42)38-25-14-15-27-29(22-25)30(23-46-35(43)36-3)26-9-6-10-28(34(26)27)31(40)11-8-20-45-24(2)16-18-39;2*1-4-5-12-36-16-26(33)30-19-6-8-21-22-9-7-20(31-27(34)17-37-18(2)10-11-32)14-24(22)25(23(21)13-19)15-38-28(35)29-3;1-5(2,3)4/h12-15,23-24,26,33,44H,4-11,16-22,25H2,1-3H3,(H,39,49)(H,40,45)(H,41,46)(H,42,47)(H,43,48);6,9-10,14-15,22,24,30,39H,4-5,7-8,11-13,16-21,23H2,1-3H3,(H,36,43)(H,37,41)(H,38,42);2*6-9,13-14,18,25,32H,4-5,10-12,15-17H2,1-3H3,(H,29,35)(H,30,33)(H,31,34);1H3,(H,2,3,4)
• InChIKey: LIBRVYUJKIXCRR-UHFFFAOYSA-N
• XLogP: 15.93
• TPSA: 670.52 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 33
• Rotatable Bonds: 73
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2517.02
LogP ≤ 5	15.93
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis([2-[(2-butoxyacetyl)amino]-7-[[2-(4-hydroxybutan-2-yloxy)acetyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate);[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-5-[4-(4-hydroxybutan-2-yloxy)butanoyl]-9H-fluoren-9-yl]methyl N-methylcarbamate;[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-7-[[5-[2-(4-hydroxybutan-2-yloxy)ethylamino]-5-oxopentanoyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate;methanesulfonic acid?

The IUPAC name of bis([2-[(2-butoxyacetyl)amino]-7-[[2-(4-hydroxybutan-2-yloxy)acetyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate);[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-5-[4-(4-hydroxybutan-2-yloxy)butanoyl]-9H-fluoren-9-yl]methyl N-methylcarbamate;[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-7-[[5-[2-(4-hydroxybutan-2-yloxy)ethylamino]-5-oxopentanoyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate;methanesulfonic acid (CID 160503038) is bis([2-[(2-butoxyacetyl)amino]-7-[[2-(4-hydroxybutan-2-yloxy)acetyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate);[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-5-[4-(4-hydroxybutan-2-yloxy)butanoyl]-9H-fluoren-9-yl]methyl N-methylcarbamate;[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-7-[[5-[2-(4-hydroxybutan-2-yloxy)ethylamino]-5-oxopentanoyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate;methanesulfonic acid.

What is the SMILES notation for bis([2-[(2-butoxyacetyl)amino]-7-[[2-(4-hydroxybutan-2-yloxy)acetyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate);[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-5-[4-(4-hydroxybutan-2-yloxy)butanoyl]-9H-fluoren-9-yl]methyl N-methylcarbamate;[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-7-[[5-[2-(4-hydroxybutan-2-yloxy)ethylamino]-5-oxopentanoyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate;methanesulfonic acid?

The canonical SMILES for bis([2-[(2-butoxyacetyl)amino]-7-[[2-(4-hydroxybutan-2-yloxy)acetyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate);[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-5-[4-(4-hydroxybutan-2-yloxy)butanoyl]-9H-fluoren-9-yl]methyl N-methylcarbamate;[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-7-[[5-[2-(4-hydroxybutan-2-yloxy)ethylamino]-5-oxopentanoyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate;methanesulfonic acid is CCCCOCC(=O)Nc1ccc2c(c1)C(COC(=O)NC)c1cc(NC(=O)COC(C)CCO)ccc1-2.CCCCOCC(=O)Nc1ccc2c(c1)C(COC(=O)NC)c1cc(NC(=O)COC(C)CCO)ccc1-2.CCCCOCCNC(=O)CCCC(=O)Nc1ccc2c(c1)C(COC(=O)NC)c1cc(NC(=O)CCCC(=O)NCCOC(C)CCO)ccc1-2.CCCCOCCNC(=O)CCCC(=O)Nc1ccc2c(c1)C(COC(=O)NC)c1cccc(C(=O)CCCOC(C)CCO)c1-2.CS(=O)(=O)O.

What is the InChIKey of bis([2-[(2-butoxyacetyl)amino]-7-[[2-(4-hydroxybutan-2-yloxy)acetyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate);[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-5-[4-(4-hydroxybutan-2-yloxy)butanoyl]-9H-fluoren-9-yl]methyl N-methylcarbamate;[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-7-[[5-[2-(4-hydroxybutan-2-yloxy)ethylamino]-5-oxopentanoyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate;methanesulfonic acid?

The InChIKey is LIBRVYUJKIXCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H55N5O9.C35H49N3O8.2C28H37N3O7.CH4O3S/c1-4-5-20-50-21-17-40-34(45)8-6-10-36(47)42-27-12-14-29-30-15-13-28(24-32(30)33(31(29)23-27)25-52-38(49)39-3)43-37(48)11-7-9-35(46)41-18-22-51-26(2)16-19-44;1-4-5-19-44-21-17-37-32(41)12-7-13-33(42)38-25-14-15-27-29(22-25)30(23-46-35(43)36-3)26-9-6-10-28(34(26)27)31(40)11-8-20-45-24(2)16-18-39;2*1-4-5-12-36-16-26(33)30-19-6-8-21-22-9-7-20(31-27(34)17-37-18(2)10-11-32)14-24(22)25(23(21)13-19)15-38-28(35)29-3;1-5(2,3)4/h12-15,23-24,26,33,44H,4-11,16-22,25H2,1-3H3,(H,39,49)(H,40,45)(H,41,46)(H,42,47)(H,43,48);6,9-10,14-15,22,24,30,39H,4-5,7-8,11-13,16-21,23H2,1-3H3,(H,36,43)(H,37,41)(H,38,42);2*6-9,13-14,18,25,32H,4-5,10-12,15-17H2,1-3H3,(H,29,35)(H,30,33)(H,31,34);1H3,(H,2,3,4).

What are the key properties of bis([2-[(2-butoxyacetyl)amino]-7-[[2-(4-hydroxybutan-2-yloxy)acetyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate);[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-5-[4-(4-hydroxybutan-2-yloxy)butanoyl]-9H-fluoren-9-yl]methyl N-methylcarbamate;[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-7-[[5-[2-(4-hydroxybutan-2-yloxy)ethylamino]-5-oxopentanoyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate;methanesulfonic acid?

bis([2-[(2-butoxyacetyl)amino]-7-[[2-(4-hydroxybutan-2-yloxy)acetyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate);[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-5-[4-(4-hydroxybutan-2-yloxy)butanoyl]-9H-fluoren-9-yl]methyl N-methylcarbamate;[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-7-[[5-[2-(4-hydroxybutan-2-yloxy)ethylamino]-5-oxopentanoyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate;methanesulfonic acid has a molecular weight of 2517.02 g/mol, XLogP of 15.93, 73 rotatable bonds, 19 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for bis([2-[(2-butoxyacetyl)amino]-7-[[2-(4-hydroxybutan-2-yloxy)acetyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate);[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-5-[4-(4-hydroxybutan-2-yloxy)butanoyl]-9H-fluoren-9-yl]methyl N-methylcarbamate;[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-7-[[5-[2-(4-hydroxybutan-2-yloxy)ethylamino]-5-oxopentanoyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate;methanesulfonic acid is sourced from PubChem (CID 160503038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).