[2-acetamido-7-[[5-[2-(3-methoxypropoxy)ethylamino]-5-oxopentanoyl]amino]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;bis([2-[(2-butoxyacetyl)amino]-7-[[2-(3-methoxypropoxy)acetyl]amino]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate);[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-5-[2-(3-methoxypropoxy)ethylcarbamoyl]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;N-(2-butoxyethyl)pentanamide;methanesulfonic acid

C143H187N15O46S — CID 157094879

IUPAC[2-acetamido-7-[[5-[2-(3-methoxypropoxy)ethylamino]-5-oxopentanoyl]amino]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;bis([2-[(2-butoxyacetyl)amino]-7-[[2-(3-methoxypropoxy)acetyl]amino]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate);[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-5-[2-(3-methoxypropoxy)ethylcarbamoyl]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;N-(2-butoxyethyl)pentanamide;methanesulfonic acid
SMILESCCCCOCC(=O)Nc1ccc2c(c1)C(COC(=O)ON1C(=O)CCC1=O)c1cc(NC(=O)COCCCOC)ccc1-2.CCCCOCC(=O)Nc1ccc2c(c1)C(COC(=O)ON1C(=O)CCC1=O)c1cc(NC(=O)COCCCOC)ccc1-2.CCCCOCCNC(=O)CCCC.CCCCOCCNC(=O)CCCC(=O)Nc1ccc2c(c1)C(COC(=O)ON1C(=O)CCC1=O)c1cccc(C(=O)NCCOCCCOC)c1-2.COCCCOCCNC(=O)CCCC(=O)Nc1ccc2c(c1)C(COC(=O)ON1C(=O)CCC1=O)c1cc(NC(C)=O)ccc1-2.CS(=O)(=O)O
InChIInChI=1S/C37H48N4O11.C32H38N4O10.2C31H37N3O10.C11H23NO2.CH4O3S/c1-3-4-19-49-21-16-38-31(42)10-6-11-32(43)40-25-12-13-27-29(23-25)30(24-51-37(47)52-41-33(44)14-15-34(41)45)26-8-5-9-28(35(26)27)36(46)39-17-22-50-20-7-18-48-2;1-20(37)34-21-7-9-23-24-10-8-22(35-29(39)6-3-5-28(38)33-13-16-44-15-4-14-43-2)18-26(24)27(25(23)17-21)19-45-32(42)46-36-30(40)11-12-31(36)41;2*1-3-4-13-41-18-27(35)32-20-6-8-22-23-9-7-21(33-28(36)19-42-14-5-12-40-2)16-25(23)26(24(22)15-20)17-43-31(39)44-34-29(37)10-11-30(34)38;1-3-5-7-11(13)12-8-10-14-9-6-4-2;1-5(2,3)4/h5,8-9,12-13,23,30H,3-4,6-7,10-11,14-22,24H2,1-2H3,(H,38,42)(H,39,46)(H,40,43);7-10,17-18,27H,3-6,11-16,19H2,1-2H3,(H,33,38)(H,34,37)(H,35,39);2*6-9,15-16,26H,3-5,10-14,17-19H2,1-2H3,(H,32,35)(H,33,36);3-10H2,1-2H3,(H,12,13);1H3,(H,2,3,4)
InChIKeySQZDMSYIQSJMHO-UHFFFAOYSA-N
MW2884.20 g/mol
LogP16.23
Rot. Bonds79

About [2-acetamido-7-[[5-[2-(3-methoxypropoxy)ethylamino]-5-oxopentanoyl]amino]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;bis([2-[(2-butoxyacetyl)amino]-7-[[2-(3-methoxypropoxy)acetyl]amino]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate);[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-5-[2-(3-methoxypropoxy)ethylcarbamoyl]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;N-(2-butoxyethyl)pentanamide;methanesulfonic acid

[2-acetamido-7-[[5-[2-(3-methoxypropoxy)ethylamino]-5-oxopentanoyl]amino]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;bis([2-[(2-butoxyacetyl)amino]-7-[[2-(3-methoxypropoxy)acetyl]amino]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate);[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-5-[2-(3-methoxypropoxy)ethylcarbamoyl]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;N-(2-butoxyethyl)pentanamide;methanesulfonic acid (PubChem CID 157094879) has the molecular formula C143H187N15O46S and a molecular weight of 2884.20 g/mol. Its IUPAC name is [2-acetamido-7-[[5-[2-(3-methoxypropoxy)ethylamino]-5-oxopentanoyl]amino]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;bis([2-[(2-butoxyacetyl)amino]-7-[[2-(3-methoxypropoxy)acetyl]amino]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate);[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-5-[2-(3-methoxypropoxy)ethylcarbamoyl]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;N-(2-butoxyethyl)pentanamide;methanesulfonic acid.

Molecular Properties

Compound Name[2-acetamido-7-[[5-[2-(3-methoxypropoxy)ethylamino]-5-oxopentanoyl]amino]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;bis([2-[(2-butoxyacetyl)amino]-7-[[2-(3-methoxypropoxy)acetyl]amino]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate);[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-5-[2-(3-methoxypropoxy)ethylcarbamoyl]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;N-(2-butoxyethyl)pentanamide;methanesulfonic acid
PubChem CID157094879
Molecular FormulaC143H187N15O46S
Molecular Weight2884.20 g/mol
Exact Mass2882.25
IUPAC Name[2-acetamido-7-[[5-[2-(3-methoxypropoxy)ethylamino]-5-oxopentanoyl]amino]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;bis([2-[(2-butoxyacetyl)amino]-7-[[2-(3-methoxypropoxy)acetyl]amino]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate);[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-5-[2-(3-methoxypropoxy)ethylcarbamoyl]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;N-(2-butoxyethyl)pentanamide;methanesulfonic acid
SMILESCCCCOCC(=O)Nc1ccc2c(c1)C(COC(=O)ON1C(=O)CCC1=O)c1cc(NC(=O)COCCCOC)ccc1-2.CCCCOCC(=O)Nc1ccc2c(c1)C(COC(=O)ON1C(=O)CCC1=O)c1cc(NC(=O)COCCCOC)ccc1-2.CCCCOCCNC(=O)CCCC.CCCCOCCNC(=O)CCCC(=O)Nc1ccc2c(c1)C(COC(=O)ON1C(=O)CCC1=O)c1cccc(C(=O)NCCOCCCOC)c1-2.COCCCOCCNC(=O)CCCC(=O)Nc1ccc2c(c1)C(COC(=O)ON1C(=O)CCC1=O)c1cc(NC(C)=O)ccc1-2.CS(=O)(=O)O
InChIInChI=1S/C37H48N4O11.C32H38N4O10.2C31H37N3O10.C11H23NO2.CH4O3S/c1-3-4-19-49-21-16-38-31(42)10-6-11-32(43)40-25-12-13-27-29(23-25)30(24-51-37(47)52-41-33(44)14-15-34(41)45)26-8-5-9-28(35(26)27)36(46)39-17-22-50-20-7-18-48-2;1-20(37)34-21-7-9-23-24-10-8-22(35-29(39)6-3-5-28(38)33-13-16-44-15-4-14-43-2)18-26(24)27(25(23)17-21)19-45-32(42)46-36-30(40)11-12-31(36)41;2*1-3-4-13-41-18-27(35)32-20-6-8-22-23-9-7-21(33-28(36)19-42-14-5-12-40-2)16-25(23)26(24(22)15-20)17-43-31(39)44-34-29(37)10-11-30(34)38;1-3-5-7-11(13)12-8-10-14-9-6-4-2;1-5(2,3)4/h5,8-9,12-13,23,30H,3-4,6-7,10-11,14-22,24H2,1-2H3,(H,38,42)(H,39,46)(H,40,43);7-10,17-18,27H,3-6,11-16,19H2,1-2H3,(H,33,38)(H,34,37)(H,35,39);2*6-9,15-16,26H,3-5,10-14,17-19H2,1-2H3,(H,32,35)(H,33,36);3-10H2,1-2H3,(H,12,13);1H3,(H,2,3,4)
InChIKeySQZDMSYIQSJMHO-UHFFFAOYSA-N
XLogP16.23
TPSA776.87 Ų
H-Bond Donors12
H-Bond Acceptors45
Rotatable Bonds79
Heavy Atoms205
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002884.20
LogP ≤ 516.23
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

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

Analyze [2-acetamido-7-[[5-[2-(3-methoxypropoxy)ethylamino]-5-oxopentanoyl]amino]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;bis([2-[(2-butoxyacetyl)amino]-7-[[2-(3-methoxypropoxy)acetyl]amino]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate);[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-5-[2-(3-methoxypropoxy)ethylcarbamoyl]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;N-(2-butoxyethyl)pentanamide;methanesulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-acetamido-7-[[5-[2-(3-methoxypropoxy)ethylamino]-5-oxopentanoyl]amino]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;bis([2-[(2-butoxyacetyl)amino]-7-[[2-(3-methoxypropoxy)acetyl]amino]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate);[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-5-[2-(3-methoxypropoxy)ethylcarbamoyl]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;N-(2-butoxyethyl)pentanamide;methanesulfonic acid?
The IUPAC name of [2-acetamido-7-[[5-[2-(3-methoxypropoxy)ethylamino]-5-oxopentanoyl]amino]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;bis([2-[(2-butoxyacetyl)amino]-7-[[2-(3-methoxypropoxy)acetyl]amino]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate);[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-5-[2-(3-methoxypropoxy)ethylcarbamoyl]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;N-(2-butoxyethyl)pentanamide;methanesulfonic acid (CID 157094879) is [2-acetamido-7-[[5-[2-(3-methoxypropoxy)ethylamino]-5-oxopentanoyl]amino]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;bis([2-[(2-butoxyacetyl)amino]-7-[[2-(3-methoxypropoxy)acetyl]amino]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate);[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-5-[2-(3-methoxypropoxy)ethylcarbamoyl]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;N-(2-butoxyethyl)pentanamide;methanesulfonic acid.
What is the SMILES notation for [2-acetamido-7-[[5-[2-(3-methoxypropoxy)ethylamino]-5-oxopentanoyl]amino]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;bis([2-[(2-butoxyacetyl)amino]-7-[[2-(3-methoxypropoxy)acetyl]amino]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate);[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-5-[2-(3-methoxypropoxy)ethylcarbamoyl]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;N-(2-butoxyethyl)pentanamide;methanesulfonic acid?
The canonical SMILES for [2-acetamido-7-[[5-[2-(3-methoxypropoxy)ethylamino]-5-oxopentanoyl]amino]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;bis([2-[(2-butoxyacetyl)amino]-7-[[2-(3-methoxypropoxy)acetyl]amino]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate);[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-5-[2-(3-methoxypropoxy)ethylcarbamoyl]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;N-(2-butoxyethyl)pentanamide;methanesulfonic acid is CCCCOCC(=O)Nc1ccc2c(c1)C(COC(=O)ON1C(=O)CCC1=O)c1cc(NC(=O)COCCCOC)ccc1-2.CCCCOCC(=O)Nc1ccc2c(c1)C(COC(=O)ON1C(=O)CCC1=O)c1cc(NC(=O)COCCCOC)ccc1-2.CCCCOCCNC(=O)CCCC.CCCCOCCNC(=O)CCCC(=O)Nc1ccc2c(c1)C(COC(=O)ON1C(=O)CCC1=O)c1cccc(C(=O)NCCOCCCOC)c1-2.COCCCOCCNC(=O)CCCC(=O)Nc1ccc2c(c1)C(COC(=O)ON1C(=O)CCC1=O)c1cc(NC(C)=O)ccc1-2.CS(=O)(=O)O.
What is the InChIKey of [2-acetamido-7-[[5-[2-(3-methoxypropoxy)ethylamino]-5-oxopentanoyl]amino]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;bis([2-[(2-butoxyacetyl)amino]-7-[[2-(3-methoxypropoxy)acetyl]amino]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate);[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-5-[2-(3-methoxypropoxy)ethylcarbamoyl]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;N-(2-butoxyethyl)pentanamide;methanesulfonic acid?
The InChIKey is SQZDMSYIQSJMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H48N4O11.C32H38N4O10.2C31H37N3O10.C11H23NO2.CH4O3S/c1-3-4-19-49-21-16-38-31(42)10-6-11-32(43)40-25-12-13-27-29(23-25)30(24-51-37(47)52-41-33(44)14-15-34(41)45)26-8-5-9-28(35(26)27)36(46)39-17-22-50-20-7-18-48-2;1-20(37)34-21-7-9-23-24-10-8-22(35-29(39)6-3-5-28(38)33-13-16-44-15-4-14-43-2)18-26(24)27(25(23)17-21)19-45-32(42)46-36-30(40)11-12-31(36)41;2*1-3-4-13-41-18-27(35)32-20-6-8-22-23-9-7-21(33-28(36)19-42-14-5-12-40-2)16-25(23)26(24(22)15-20)17-43-31(39)44-34-29(37)10-11-30(34)38;1-3-5-7-11(13)12-8-10-14-9-6-4-2;1-5(2,3)4/h5,8-9,12-13,23,30H,3-4,6-7,10-11,14-22,24H2,1-2H3,(H,38,42)(H,39,46)(H,40,43);7-10,17-18,27H,3-6,11-16,19H2,1-2H3,(H,33,38)(H,34,37)(H,35,39);2*6-9,15-16,26H,3-5,10-14,17-19H2,1-2H3,(H,32,35)(H,33,36);3-10H2,1-2H3,(H,12,13);1H3,(H,2,3,4).
What are the key properties of [2-acetamido-7-[[5-[2-(3-methoxypropoxy)ethylamino]-5-oxopentanoyl]amino]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;bis([2-[(2-butoxyacetyl)amino]-7-[[2-(3-methoxypropoxy)acetyl]amino]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate);[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-5-[2-(3-methoxypropoxy)ethylcarbamoyl]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;N-(2-butoxyethyl)pentanamide;methanesulfonic acid?
[2-acetamido-7-[[5-[2-(3-methoxypropoxy)ethylamino]-5-oxopentanoyl]amino]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;bis([2-[(2-butoxyacetyl)amino]-7-[[2-(3-methoxypropoxy)acetyl]amino]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate);[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-5-[2-(3-methoxypropoxy)ethylcarbamoyl]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;N-(2-butoxyethyl)pentanamide;methanesulfonic acid has a molecular weight of 2884.20 g/mol, XLogP of 16.23, 79 rotatable bonds, 12 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for [2-acetamido-7-[[5-[2-(3-methoxypropoxy)ethylamino]-5-oxopentanoyl]amino]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;bis([2-[(2-butoxyacetyl)amino]-7-[[2-(3-methoxypropoxy)acetyl]amino]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate);[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-5-[2-(3-methoxypropoxy)ethylcarbamoyl]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;N-(2-butoxyethyl)pentanamide;methanesulfonic acid is sourced from PubChem (CID 157094879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).