[2-[4-[2-(4-aminobenzoyl)oxyacetyl]oxybutoxy]-2-oxoethyl] 4-aminobenzoate;[2-[2-[2-[2-(4-aminobenzoyl)oxyacetyl]oxyethoxy]ethoxy]-2-oxoethyl] 4-aminobenzoate;[2-[2-[2-(4-aminobenzoyl)oxyacetyl]oxyethoxy]-2-oxoethyl] 4-aminobenzoate;[2-[3-[2-(4-aminobenzoyl)oxyacetyl]oxypropoxy]-2-oxoethyl] 4-aminobenzoate;[6-[2-[6-(4-aminobenzoyl)oxyhexanoyloxy]ethoxy]-6-oxohexyl] 4-aminobenzoate;2-[2-(4-aminophenoxy)acetyl]oxyethyl 2-(4-aminophenoxy)acetate;(4-aminophenyl) 2-[2-(4-aminophenoxy)-2-oxoethoxy]acetate;(4-aminophenyl) 2-[2-(4-aminophenoxy)-2-oxoethoxy]propanoate

C164H180N16O57 — CID 160601428

IUPAC[2-[4-[2-(4-aminobenzoyl)oxyacetyl]oxybutoxy]-2-oxoethyl] 4-aminobenzoate;[2-[2-[2-[2-(4-aminobenzoyl)oxyacetyl]oxyethoxy]ethoxy]-2-oxoethyl] 4-aminobenzoate;[2-[2-[2-(4-aminobenzoyl)oxyacetyl]oxyethoxy]-2-oxoethyl] 4-aminobenzoate;[2-[3-[2-(4-aminobenzoyl)oxyacetyl]oxypropoxy]-2-oxoethyl] 4-aminobenzoate;[6-[2-[6-(4-aminobenzoyl)oxyhexanoyloxy]ethoxy]-6-oxohexyl] 4-aminobenzoate;2-[2-(4-aminophenoxy)acetyl]oxyethyl 2-(4-aminophenoxy)acetate;(4-aminophenyl) 2-[2-(4-aminophenoxy)-2-oxoethoxy]acetate;(4-aminophenyl) 2-[2-(4-aminophenoxy)-2-oxoethoxy]propanoate
SMILESCC(OCC(=O)Oc1ccc(N)cc1)C(=O)Oc1ccc(N)cc1.Nc1ccc(C(=O)OCC(=O)OCCCCOC(=O)COC(=O)c2ccc(N)cc2)cc1.Nc1ccc(C(=O)OCC(=O)OCCCOC(=O)COC(=O)c2ccc(N)cc2)cc1.Nc1ccc(C(=O)OCC(=O)OCCOC(=O)COC(=O)c2ccc(N)cc2)cc1.Nc1ccc(C(=O)OCC(=O)OCCOCCOC(=O)COC(=O)c2ccc(N)cc2)cc1.Nc1ccc(C(=O)OCCCCCC(=O)OCCOC(=O)CCCCCOC(=O)c2ccc(N)cc2)cc1.Nc1ccc(OC(=O)COCC(=O)Oc2ccc(N)cc2)cc1.Nc1ccc(OCC(=O)OCCOC(=O)COc2ccc(N)cc2)cc1
InChIInChI=1S/C28H36N2O8.C22H24N2O9.C22H24N2O8.C21H22N2O8.C20H20N2O8.C18H20N2O6.C17H18N2O5.C16H16N2O5/c29-23-13-9-21(10-14-23)27(33)37-17-5-1-3-7-25(31)35-19-20-36-26(32)8-4-2-6-18-38-28(34)22-11-15-24(30)16-12-22;23-17-5-1-15(2-6-17)21(27)32-13-19(25)30-11-9-29-10-12-31-20(26)14-33-22(28)16-3-7-18(24)8-4-16;23-17-7-3-15(4-8-17)21(27)31-13-19(25)29-11-1-2-12-30-20(26)14-32-22(28)16-5-9-18(24)10-6-16;22-16-6-2-14(3-7-16)20(26)30-12-18(24)28-10-1-11-29-19(25)13-31-21(27)15-4-8-17(23)9-5-15;21-15-5-1-13(2-6-15)19(25)29-11-17(23)27-9-10-28-18(24)12-30-20(26)14-3-7-16(22)8-4-14;19-13-1-5-15(6-2-13)25-11-17(21)23-9-10-24-18(22)12-26-16-7-3-14(20)4-8-16;1-11(17(21)24-15-8-4-13(19)5-9-15)22-10-16(20)23-14-6-2-12(18)3-7-14;17-11-1-5-13(6-2-11)22-15(19)9-21-10-16(20)23-14-7-3-12(18)4-8-14/h9-16H,1-8,17-20,29-30H2;1-8H,9-14,23-24H2;3-10H,1-2,11-14,23-24H2;2-9H,1,10-13,22-23H2;1-8H,9-12,21-22H2;1-8H,9-12,19-20H2;2-9,11H,10,18-19H2,1H3;1-8H,9-10,17-18H2
InChIKeyREIDUKIKHORPBV-UHFFFAOYSA-N
MW3287.30 g/mol
LogP13.60
Rot. Bonds80

About [2-[4-[2-(4-aminobenzoyl)oxyacetyl]oxybutoxy]-2-oxoethyl] 4-aminobenzoate;[2-[2-[2-[2-(4-aminobenzoyl)oxyacetyl]oxyethoxy]ethoxy]-2-oxoethyl] 4-aminobenzoate;[2-[2-[2-(4-aminobenzoyl)oxyacetyl]oxyethoxy]-2-oxoethyl] 4-aminobenzoate;[2-[3-[2-(4-aminobenzoyl)oxyacetyl]oxypropoxy]-2-oxoethyl] 4-aminobenzoate;[6-[2-[6-(4-aminobenzoyl)oxyhexanoyloxy]ethoxy]-6-oxohexyl] 4-aminobenzoate;2-[2-(4-aminophenoxy)acetyl]oxyethyl 2-(4-aminophenoxy)acetate;(4-aminophenyl) 2-[2-(4-aminophenoxy)-2-oxoethoxy]acetate;(4-aminophenyl) 2-[2-(4-aminophenoxy)-2-oxoethoxy]propanoate

[2-[4-[2-(4-aminobenzoyl)oxyacetyl]oxybutoxy]-2-oxoethyl] 4-aminobenzoate;[2-[2-[2-[2-(4-aminobenzoyl)oxyacetyl]oxyethoxy]ethoxy]-2-oxoethyl] 4-aminobenzoate;[2-[2-[2-(4-aminobenzoyl)oxyacetyl]oxyethoxy]-2-oxoethyl] 4-aminobenzoate;[2-[3-[2-(4-aminobenzoyl)oxyacetyl]oxypropoxy]-2-oxoethyl] 4-aminobenzoate;[6-[2-[6-(4-aminobenzoyl)oxyhexanoyloxy]ethoxy]-6-oxohexyl] 4-aminobenzoate;2-[2-(4-aminophenoxy)acetyl]oxyethyl 2-(4-aminophenoxy)acetate;(4-aminophenyl) 2-[2-(4-aminophenoxy)-2-oxoethoxy]acetate;(4-aminophenyl) 2-[2-(4-aminophenoxy)-2-oxoethoxy]propanoate (PubChem CID 160601428) has the molecular formula C164H180N16O57 and a molecular weight of 3287.30 g/mol. Its IUPAC name is [2-[4-[2-(4-aminobenzoyl)oxyacetyl]oxybutoxy]-2-oxoethyl] 4-aminobenzoate;[2-[2-[2-[2-(4-aminobenzoyl)oxyacetyl]oxyethoxy]ethoxy]-2-oxoethyl] 4-aminobenzoate;[2-[2-[2-(4-aminobenzoyl)oxyacetyl]oxyethoxy]-2-oxoethyl] 4-aminobenzoate;[2-[3-[2-(4-aminobenzoyl)oxyacetyl]oxypropoxy]-2-oxoethyl] 4-aminobenzoate;[6-[2-[6-(4-aminobenzoyl)oxyhexanoyloxy]ethoxy]-6-oxohexyl] 4-aminobenzoate;2-[2-(4-aminophenoxy)acetyl]oxyethyl 2-(4-aminophenoxy)acetate;(4-aminophenyl) 2-[2-(4-aminophenoxy)-2-oxoethoxy]acetate;(4-aminophenyl) 2-[2-(4-aminophenoxy)-2-oxoethoxy]propanoate.

Molecular Properties

Compound Name[2-[4-[2-(4-aminobenzoyl)oxyacetyl]oxybutoxy]-2-oxoethyl] 4-aminobenzoate;[2-[2-[2-[2-(4-aminobenzoyl)oxyacetyl]oxyethoxy]ethoxy]-2-oxoethyl] 4-aminobenzoate;[2-[2-[2-(4-aminobenzoyl)oxyacetyl]oxyethoxy]-2-oxoethyl] 4-aminobenzoate;[2-[3-[2-(4-aminobenzoyl)oxyacetyl]oxypropoxy]-2-oxoethyl] 4-aminobenzoate;[6-[2-[6-(4-aminobenzoyl)oxyhexanoyloxy]ethoxy]-6-oxohexyl] 4-aminobenzoate;2-[2-(4-aminophenoxy)acetyl]oxyethyl 2-(4-aminophenoxy)acetate;(4-aminophenyl) 2-[2-(4-aminophenoxy)-2-oxoethoxy]acetate;(4-aminophenyl) 2-[2-(4-aminophenoxy)-2-oxoethoxy]propanoate
PubChem CID160601428
Molecular FormulaC164H180N16O57
Molecular Weight3287.30 g/mol
Exact Mass3285.17
IUPAC Name[2-[4-[2-(4-aminobenzoyl)oxyacetyl]oxybutoxy]-2-oxoethyl] 4-aminobenzoate;[2-[2-[2-[2-(4-aminobenzoyl)oxyacetyl]oxyethoxy]ethoxy]-2-oxoethyl] 4-aminobenzoate;[2-[2-[2-(4-aminobenzoyl)oxyacetyl]oxyethoxy]-2-oxoethyl] 4-aminobenzoate;[2-[3-[2-(4-aminobenzoyl)oxyacetyl]oxypropoxy]-2-oxoethyl] 4-aminobenzoate;[6-[2-[6-(4-aminobenzoyl)oxyhexanoyloxy]ethoxy]-6-oxohexyl] 4-aminobenzoate;2-[2-(4-aminophenoxy)acetyl]oxyethyl 2-(4-aminophenoxy)acetate;(4-aminophenyl) 2-[2-(4-aminophenoxy)-2-oxoethoxy]acetate;(4-aminophenyl) 2-[2-(4-aminophenoxy)-2-oxoethoxy]propanoate
SMILESCC(OCC(=O)Oc1ccc(N)cc1)C(=O)Oc1ccc(N)cc1.Nc1ccc(C(=O)OCC(=O)OCCCCOC(=O)COC(=O)c2ccc(N)cc2)cc1.Nc1ccc(C(=O)OCC(=O)OCCCOC(=O)COC(=O)c2ccc(N)cc2)cc1.Nc1ccc(C(=O)OCC(=O)OCCOC(=O)COC(=O)c2ccc(N)cc2)cc1.Nc1ccc(C(=O)OCC(=O)OCCOCCOC(=O)COC(=O)c2ccc(N)cc2)cc1.Nc1ccc(C(=O)OCCCCCC(=O)OCCOC(=O)CCCCCOC(=O)c2ccc(N)cc2)cc1.Nc1ccc(OC(=O)COCC(=O)Oc2ccc(N)cc2)cc1.Nc1ccc(OCC(=O)OCCOC(=O)COc2ccc(N)cc2)cc1
InChIInChI=1S/C28H36N2O8.C22H24N2O9.C22H24N2O8.C21H22N2O8.C20H20N2O8.C18H20N2O6.C17H18N2O5.C16H16N2O5/c29-23-13-9-21(10-14-23)27(33)37-17-5-1-3-7-25(31)35-19-20-36-26(32)8-4-2-6-18-38-28(34)22-11-15-24(30)16-12-22;23-17-5-1-15(2-6-17)21(27)32-13-19(25)30-11-9-29-10-12-31-20(26)14-33-22(28)16-3-7-18(24)8-4-16;23-17-7-3-15(4-8-17)21(27)31-13-19(25)29-11-1-2-12-30-20(26)14-32-22(28)16-5-9-18(24)10-6-16;22-16-6-2-14(3-7-16)20(26)30-12-18(24)28-10-1-11-29-19(25)13-31-21(27)15-4-8-17(23)9-5-15;21-15-5-1-13(2-6-15)19(25)29-11-17(23)27-9-10-28-18(24)12-30-20(26)14-3-7-16(22)8-4-14;19-13-1-5-15(6-2-13)25-11-17(21)23-9-10-24-18(22)12-26-16-7-3-14(20)4-8-16;1-11(17(21)24-15-8-4-13(19)5-9-15)22-10-16(20)23-14-6-2-12(18)3-7-14;17-11-1-5-13(6-2-11)22-15(19)9-21-10-16(20)23-14-7-3-12(18)4-8-14/h9-16H,1-8,17-20,29-30H2;1-8H,9-14,23-24H2;3-10H,1-2,11-14,23-24H2;2-9H,1,10-13,22-23H2;1-8H,9-12,21-22H2;1-8H,9-12,19-20H2;2-9,11H,10,18-19H2,1H3;1-8H,9-10,17-18H2
InChIKeyREIDUKIKHORPBV-UHFFFAOYSA-N
XLogP13.60
TPSA1146.27 Ų
H-Bond Donors16
H-Bond Acceptors73
Rotatable Bonds80
Heavy Atoms237
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003287.30
LogP ≤ 513.60
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1073

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [2-[4-[2-(4-aminobenzoyl)oxyacetyl]oxybutoxy]-2-oxoethyl] 4-aminobenzoate;[2-[2-[2-[2-(4-aminobenzoyl)oxyacetyl]oxyethoxy]ethoxy]-2-oxoethyl] 4-aminobenzoate;[2-[2-[2-(4-aminobenzoyl)oxyacetyl]oxyethoxy]-2-oxoethyl] 4-aminobenzoate;[2-[3-[2-(4-aminobenzoyl)oxyacetyl]oxypropoxy]-2-oxoethyl] 4-aminobenzoate;[6-[2-[6-(4-aminobenzoyl)oxyhexanoyloxy]ethoxy]-6-oxohexyl] 4-aminobenzoate;2-[2-(4-aminophenoxy)acetyl]oxyethyl 2-(4-aminophenoxy)acetate;(4-aminophenyl) 2-[2-(4-aminophenoxy)-2-oxoethoxy]acetate;(4-aminophenyl) 2-[2-(4-aminophenoxy)-2-oxoethoxy]propanoate with MolForge

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

Launch Full Analysis

Related Compounds

[2-oxo-2-[4-[2-oxo-2-[2-[2-[4-[(2-propanoyloxyacetyl)amino]phenoxy]acetyl]oxyethoxy]ethoxy]anilino]ethyl] propanoate;[2-oxo-2-[4-[2-[2-oxo-2-[4-[(2-propanoyloxyacetyl)amino]phenoxy]ethoxy]acetyl]oxyanilino]ethyl] propanoate;[2-oxo-2-[2-[2-[4-[(2-propanoyloxyacetyl)amino]benzoyl]oxyacetyl]oxyethoxy]ethyl] 4-[(2-propanoyloxyacetyl)amino]benzoate;2-[6-[4-[(2-propanoyloxyacetyl)amino]phenoxy]hexanoyloxy]ethyl 6-[4-[(2-propanoyloxyacetyl)amino]phenoxy]hexanoate;2-[2-[4-[(2-propanoyloxyacetyl)amino]phenoxy]propanoyloxy]ethyl 2-[4-[(2-propanoyloxyacetyl)amino]phenoxy]propanoate;[4-[(2-propanoyloxyacetyl)amino]phenyl] 2-[2-oxo-2-[4-[(2-propanoyloxyacetyl)amino]phenoxy]ethoxy]propanoate;2-[6-[4-(2-propanoyloxypropanoylamino)phenoxy]hexanoyloxy]ethyl 6-[4-(2-propanoyloxypropanoylamino)phenoxy]hexanoate
CID 159213782
(4-aminophenyl) 6-(4-aminophenoxy)hexanoate
CID 86294322
2-[2-[[3-(3-amino-4-methylphenyl)-1-[2-[2-(4-aminophenoxy)-2-oxoethoxy]ethoxy]-1-oxopropan-2-yl]amino]-2-oxoethoxy]ethyl 4-aminobenzoate;[2-[[3-(3-amino-4-methylphenyl)-1-[2-(4-aminophenoxy)-2-oxoethoxy]-1-oxopropan-2-yl]amino]-2-oxoethyl] 4-aminobenzoate;[6-[[3-(3-amino-4-methylphenyl)-1-[6-(4-aminophenoxy)-6-oxohexoxy]-1-oxopropan-2-yl]amino]-6-oxohexyl] 4-aminobenzoate;[1-[[3-(3-amino-4-methylphenyl)-1-[1-(4-aminophenoxy)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl] 4-aminobenzoate
CID 161423574
[4-[5-[4-(4-aminobenzoyl)oxyphenoxy]pentoxy]phenyl] 4-aminobenzoate
CID 144631711
[5-[[2-[2-(4-methylbenzoyl)oxyethoxy]acetyl]oxymethoxy]-5-oxopentyl] 4-methylbenzoate
CID 90306811
bis[[2-(4-aminophenoxy)acetyl]oxymethyl] hexanedioate
CID 59445400
[2-(4-aminophenoxy)-2-oxoethyl] 2-[2-[2-[2-(4-aminophenoxy)-2-oxoethoxy]-2-oxoethoxy]ethoxy]acetate
CID 124783567
[4-[4-[8-[6-[6-[6-[6-[6-[6-[6-(2-methylpropoxy)hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]octoxy]benzoyl]oxyphenyl] 4-methoxybenzoate
CID 87256289
methyl 4-(5-octoxy-5-oxopentoxy)benzoate
CID 101216766
(4-hexoxyphenyl) 4-aminobenzoate
CID 54274650
12-(4-aminobenzoyl)oxydodecyl 4-aminobenzoate
CID 43836069
(4-aminophenyl) 2-[2-(4-aminophenoxy)-2-oxoethoxy]acetate
CID 25234030

Frequently Asked Questions

What is the IUPAC name of [2-[4-[2-(4-aminobenzoyl)oxyacetyl]oxybutoxy]-2-oxoethyl] 4-aminobenzoate;[2-[2-[2-[2-(4-aminobenzoyl)oxyacetyl]oxyethoxy]ethoxy]-2-oxoethyl] 4-aminobenzoate;[2-[2-[2-(4-aminobenzoyl)oxyacetyl]oxyethoxy]-2-oxoethyl] 4-aminobenzoate;[2-[3-[2-(4-aminobenzoyl)oxyacetyl]oxypropoxy]-2-oxoethyl] 4-aminobenzoate;[6-[2-[6-(4-aminobenzoyl)oxyhexanoyloxy]ethoxy]-6-oxohexyl] 4-aminobenzoate;2-[2-(4-aminophenoxy)acetyl]oxyethyl 2-(4-aminophenoxy)acetate;(4-aminophenyl) 2-[2-(4-aminophenoxy)-2-oxoethoxy]acetate;(4-aminophenyl) 2-[2-(4-aminophenoxy)-2-oxoethoxy]propanoate?
The IUPAC name of [2-[4-[2-(4-aminobenzoyl)oxyacetyl]oxybutoxy]-2-oxoethyl] 4-aminobenzoate;[2-[2-[2-[2-(4-aminobenzoyl)oxyacetyl]oxyethoxy]ethoxy]-2-oxoethyl] 4-aminobenzoate;[2-[2-[2-(4-aminobenzoyl)oxyacetyl]oxyethoxy]-2-oxoethyl] 4-aminobenzoate;[2-[3-[2-(4-aminobenzoyl)oxyacetyl]oxypropoxy]-2-oxoethyl] 4-aminobenzoate;[6-[2-[6-(4-aminobenzoyl)oxyhexanoyloxy]ethoxy]-6-oxohexyl] 4-aminobenzoate;2-[2-(4-aminophenoxy)acetyl]oxyethyl 2-(4-aminophenoxy)acetate;(4-aminophenyl) 2-[2-(4-aminophenoxy)-2-oxoethoxy]acetate;(4-aminophenyl) 2-[2-(4-aminophenoxy)-2-oxoethoxy]propanoate (CID 160601428) is [2-[4-[2-(4-aminobenzoyl)oxyacetyl]oxybutoxy]-2-oxoethyl] 4-aminobenzoate;[2-[2-[2-[2-(4-aminobenzoyl)oxyacetyl]oxyethoxy]ethoxy]-2-oxoethyl] 4-aminobenzoate;[2-[2-[2-(4-aminobenzoyl)oxyacetyl]oxyethoxy]-2-oxoethyl] 4-aminobenzoate;[2-[3-[2-(4-aminobenzoyl)oxyacetyl]oxypropoxy]-2-oxoethyl] 4-aminobenzoate;[6-[2-[6-(4-aminobenzoyl)oxyhexanoyloxy]ethoxy]-6-oxohexyl] 4-aminobenzoate;2-[2-(4-aminophenoxy)acetyl]oxyethyl 2-(4-aminophenoxy)acetate;(4-aminophenyl) 2-[2-(4-aminophenoxy)-2-oxoethoxy]acetate;(4-aminophenyl) 2-[2-(4-aminophenoxy)-2-oxoethoxy]propanoate.
What is the SMILES notation for [2-[4-[2-(4-aminobenzoyl)oxyacetyl]oxybutoxy]-2-oxoethyl] 4-aminobenzoate;[2-[2-[2-[2-(4-aminobenzoyl)oxyacetyl]oxyethoxy]ethoxy]-2-oxoethyl] 4-aminobenzoate;[2-[2-[2-(4-aminobenzoyl)oxyacetyl]oxyethoxy]-2-oxoethyl] 4-aminobenzoate;[2-[3-[2-(4-aminobenzoyl)oxyacetyl]oxypropoxy]-2-oxoethyl] 4-aminobenzoate;[6-[2-[6-(4-aminobenzoyl)oxyhexanoyloxy]ethoxy]-6-oxohexyl] 4-aminobenzoate;2-[2-(4-aminophenoxy)acetyl]oxyethyl 2-(4-aminophenoxy)acetate;(4-aminophenyl) 2-[2-(4-aminophenoxy)-2-oxoethoxy]acetate;(4-aminophenyl) 2-[2-(4-aminophenoxy)-2-oxoethoxy]propanoate?
The canonical SMILES for [2-[4-[2-(4-aminobenzoyl)oxyacetyl]oxybutoxy]-2-oxoethyl] 4-aminobenzoate;[2-[2-[2-[2-(4-aminobenzoyl)oxyacetyl]oxyethoxy]ethoxy]-2-oxoethyl] 4-aminobenzoate;[2-[2-[2-(4-aminobenzoyl)oxyacetyl]oxyethoxy]-2-oxoethyl] 4-aminobenzoate;[2-[3-[2-(4-aminobenzoyl)oxyacetyl]oxypropoxy]-2-oxoethyl] 4-aminobenzoate;[6-[2-[6-(4-aminobenzoyl)oxyhexanoyloxy]ethoxy]-6-oxohexyl] 4-aminobenzoate;2-[2-(4-aminophenoxy)acetyl]oxyethyl 2-(4-aminophenoxy)acetate;(4-aminophenyl) 2-[2-(4-aminophenoxy)-2-oxoethoxy]acetate;(4-aminophenyl) 2-[2-(4-aminophenoxy)-2-oxoethoxy]propanoate is CC(OCC(=O)Oc1ccc(N)cc1)C(=O)Oc1ccc(N)cc1.Nc1ccc(C(=O)OCC(=O)OCCCCOC(=O)COC(=O)c2ccc(N)cc2)cc1.Nc1ccc(C(=O)OCC(=O)OCCCOC(=O)COC(=O)c2ccc(N)cc2)cc1.Nc1ccc(C(=O)OCC(=O)OCCOC(=O)COC(=O)c2ccc(N)cc2)cc1.Nc1ccc(C(=O)OCC(=O)OCCOCCOC(=O)COC(=O)c2ccc(N)cc2)cc1.Nc1ccc(C(=O)OCCCCCC(=O)OCCOC(=O)CCCCCOC(=O)c2ccc(N)cc2)cc1.Nc1ccc(OC(=O)COCC(=O)Oc2ccc(N)cc2)cc1.Nc1ccc(OCC(=O)OCCOC(=O)COc2ccc(N)cc2)cc1.
What is the InChIKey of [2-[4-[2-(4-aminobenzoyl)oxyacetyl]oxybutoxy]-2-oxoethyl] 4-aminobenzoate;[2-[2-[2-[2-(4-aminobenzoyl)oxyacetyl]oxyethoxy]ethoxy]-2-oxoethyl] 4-aminobenzoate;[2-[2-[2-(4-aminobenzoyl)oxyacetyl]oxyethoxy]-2-oxoethyl] 4-aminobenzoate;[2-[3-[2-(4-aminobenzoyl)oxyacetyl]oxypropoxy]-2-oxoethyl] 4-aminobenzoate;[6-[2-[6-(4-aminobenzoyl)oxyhexanoyloxy]ethoxy]-6-oxohexyl] 4-aminobenzoate;2-[2-(4-aminophenoxy)acetyl]oxyethyl 2-(4-aminophenoxy)acetate;(4-aminophenyl) 2-[2-(4-aminophenoxy)-2-oxoethoxy]acetate;(4-aminophenyl) 2-[2-(4-aminophenoxy)-2-oxoethoxy]propanoate?
The InChIKey is REIDUKIKHORPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O8.C22H24N2O9.C22H24N2O8.C21H22N2O8.C20H20N2O8.C18H20N2O6.C17H18N2O5.C16H16N2O5/c29-23-13-9-21(10-14-23)27(33)37-17-5-1-3-7-25(31)35-19-20-36-26(32)8-4-2-6-18-38-28(34)22-11-15-24(30)16-12-22;23-17-5-1-15(2-6-17)21(27)32-13-19(25)30-11-9-29-10-12-31-20(26)14-33-22(28)16-3-7-18(24)8-4-16;23-17-7-3-15(4-8-17)21(27)31-13-19(25)29-11-1-2-12-30-20(26)14-32-22(28)16-5-9-18(24)10-6-16;22-16-6-2-14(3-7-16)20(26)30-12-18(24)28-10-1-11-29-19(25)13-31-21(27)15-4-8-17(23)9-5-15;21-15-5-1-13(2-6-15)19(25)29-11-17(23)27-9-10-28-18(24)12-30-20(26)14-3-7-16(22)8-4-14;19-13-1-5-15(6-2-13)25-11-17(21)23-9-10-24-18(22)12-26-16-7-3-14(20)4-8-16;1-11(17(21)24-15-8-4-13(19)5-9-15)22-10-16(20)23-14-6-2-12(18)3-7-14;17-11-1-5-13(6-2-11)22-15(19)9-21-10-16(20)23-14-7-3-12(18)4-8-14/h9-16H,1-8,17-20,29-30H2;1-8H,9-14,23-24H2;3-10H,1-2,11-14,23-24H2;2-9H,1,10-13,22-23H2;1-8H,9-12,21-22H2;1-8H,9-12,19-20H2;2-9,11H,10,18-19H2,1H3;1-8H,9-10,17-18H2.
What are the key properties of [2-[4-[2-(4-aminobenzoyl)oxyacetyl]oxybutoxy]-2-oxoethyl] 4-aminobenzoate;[2-[2-[2-[2-(4-aminobenzoyl)oxyacetyl]oxyethoxy]ethoxy]-2-oxoethyl] 4-aminobenzoate;[2-[2-[2-(4-aminobenzoyl)oxyacetyl]oxyethoxy]-2-oxoethyl] 4-aminobenzoate;[2-[3-[2-(4-aminobenzoyl)oxyacetyl]oxypropoxy]-2-oxoethyl] 4-aminobenzoate;[6-[2-[6-(4-aminobenzoyl)oxyhexanoyloxy]ethoxy]-6-oxohexyl] 4-aminobenzoate;2-[2-(4-aminophenoxy)acetyl]oxyethyl 2-(4-aminophenoxy)acetate;(4-aminophenyl) 2-[2-(4-aminophenoxy)-2-oxoethoxy]acetate;(4-aminophenyl) 2-[2-(4-aminophenoxy)-2-oxoethoxy]propanoate?
[2-[4-[2-(4-aminobenzoyl)oxyacetyl]oxybutoxy]-2-oxoethyl] 4-aminobenzoate;[2-[2-[2-[2-(4-aminobenzoyl)oxyacetyl]oxyethoxy]ethoxy]-2-oxoethyl] 4-aminobenzoate;[2-[2-[2-(4-aminobenzoyl)oxyacetyl]oxyethoxy]-2-oxoethyl] 4-aminobenzoate;[2-[3-[2-(4-aminobenzoyl)oxyacetyl]oxypropoxy]-2-oxoethyl] 4-aminobenzoate;[6-[2-[6-(4-aminobenzoyl)oxyhexanoyloxy]ethoxy]-6-oxohexyl] 4-aminobenzoate;2-[2-(4-aminophenoxy)acetyl]oxyethyl 2-(4-aminophenoxy)acetate;(4-aminophenyl) 2-[2-(4-aminophenoxy)-2-oxoethoxy]acetate;(4-aminophenyl) 2-[2-(4-aminophenoxy)-2-oxoethoxy]propanoate has a molecular weight of 3287.30 g/mol, XLogP of 13.60, 80 rotatable bonds, 16 hydrogen bond donors, and 73 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[2-(4-aminobenzoyl)oxyacetyl]oxybutoxy]-2-oxoethyl] 4-aminobenzoate;[2-[2-[2-[2-(4-aminobenzoyl)oxyacetyl]oxyethoxy]ethoxy]-2-oxoethyl] 4-aminobenzoate;[2-[2-[2-(4-aminobenzoyl)oxyacetyl]oxyethoxy]-2-oxoethyl] 4-aminobenzoate;[2-[3-[2-(4-aminobenzoyl)oxyacetyl]oxypropoxy]-2-oxoethyl] 4-aminobenzoate;[6-[2-[6-(4-aminobenzoyl)oxyhexanoyloxy]ethoxy]-6-oxohexyl] 4-aminobenzoate;2-[2-(4-aminophenoxy)acetyl]oxyethyl 2-(4-aminophenoxy)acetate;(4-aminophenyl) 2-[2-(4-aminophenoxy)-2-oxoethoxy]acetate;(4-aminophenyl) 2-[2-(4-aminophenoxy)-2-oxoethoxy]propanoate is sourced from PubChem (CID 160601428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).