2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]oxyethoxy]ethoxy]ethyl 4-oxopentanoate;2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl (2S)-2-[(2-chloroacetyl)amino]-8-oxodecanoate;bis(2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl 4-ethylbenzoate);2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl (2S)-2-[(2-iodoacetyl)amino]-8-oxodecanoate;tris(2-[2-(2-propanoyloxyethoxy)ethoxy]ethyl 4-oxopentanoate)

C146H235ClIN3O63 — CID 159527635

IUPAC2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]oxyethoxy]ethoxy]ethyl 4-oxopentanoate;2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl (2S)-2-[(2-chloroacetyl)amino]-8-oxodecanoate;bis(2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl 4-ethylbenzoate);2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl (2S)-2-[(2-iodoacetyl)amino]-8-oxodecanoate;tris(2-[2-(2-propanoyloxyethoxy)ethoxy]ethyl 4-oxopentanoate)
SMILESCC(=O)CCC(=O)OCCOCCOCCOC(=O)CONC(=O)OC(C)(C)C.CCC(=O)CCCCC[C@H](NC(=O)CCl)C(=O)OCCOCCOCCOC(=O)CCC(C)=O.CCC(=O)CCCCC[C@H](NC(=O)CI)C(=O)OCCOCCOCCOC(=O)CCC(C)=O.CCC(=O)OCCOCCOCCOC(=O)CCC(C)=O.CCC(=O)OCCOCCOCCOC(=O)CCC(C)=O.CCC(=O)OCCOCCOCCOC(=O)CCC(C)=O.CCc1ccc(C(=O)OCCOCCOCCOC(=O)CCC(C)=O)cc1.CCc1ccc(C(=O)OCCOCCOCCOC(=O)CCC(C)=O)cc1
InChIInChI=1S/C23H38ClNO9.C23H38INO9.2C20H28O7.C18H31NO10.3C14H24O7/c2*1-3-19(27)7-5-4-6-8-20(25-21(28)17-24)23(30)34-16-14-32-12-11-31-13-15-33-22(29)10-9-18(2)26;2*1-3-17-5-7-18(8-6-17)20(23)27-15-13-25-11-10-24-12-14-26-19(22)9-4-16(2)21;1-14(20)5-6-15(21)26-11-9-24-7-8-25-10-12-27-16(22)13-28-19-17(23)29-18(2,3)4;3*1-3-13(16)20-10-8-18-6-7-19-9-11-21-14(17)5-4-12(2)15/h2*20H,3-17H2,1-2H3,(H,25,28);2*5-8H,3-4,9-15H2,1-2H3;5-13H2,1-4H3,(H,19,23);3*3-11H2,1-2H3/t2*20-;;;;;;/m00....../s1
InChIKeyMCOVFJPNXLEAMZ-MAIZNNAKSA-N
MW3202.80 g/mol
LogP12.74
Rot. Bonds126

About 2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]oxyethoxy]ethoxy]ethyl 4-oxopentanoate;2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl (2S)-2-[(2-chloroacetyl)amino]-8-oxodecanoate;bis(2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl 4-ethylbenzoate);2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl (2S)-2-[(2-iodoacetyl)amino]-8-oxodecanoate;tris(2-[2-(2-propanoyloxyethoxy)ethoxy]ethyl 4-oxopentanoate)

2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]oxyethoxy]ethoxy]ethyl 4-oxopentanoate;2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl (2S)-2-[(2-chloroacetyl)amino]-8-oxodecanoate;bis(2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl 4-ethylbenzoate);2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl (2S)-2-[(2-iodoacetyl)amino]-8-oxodecanoate;tris(2-[2-(2-propanoyloxyethoxy)ethoxy]ethyl 4-oxopentanoate) (PubChem CID 159527635) has the molecular formula C146H235ClIN3O63 and a molecular weight of 3202.80 g/mol. Its IUPAC name is 2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]oxyethoxy]ethoxy]ethyl 4-oxopentanoate;2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl (2S)-2-[(2-chloroacetyl)amino]-8-oxodecanoate;bis(2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl 4-ethylbenzoate);2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl (2S)-2-[(2-iodoacetyl)amino]-8-oxodecanoate;tris(2-[2-(2-propanoyloxyethoxy)ethoxy]ethyl 4-oxopentanoate).

Molecular Properties

Compound Name2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]oxyethoxy]ethoxy]ethyl 4-oxopentanoate;2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl (2S)-2-[(2-chloroacetyl)amino]-8-oxodecanoate;bis(2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl 4-ethylbenzoate);2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl (2S)-2-[(2-iodoacetyl)amino]-8-oxodecanoate;tris(2-[2-(2-propanoyloxyethoxy)ethoxy]ethyl 4-oxopentanoate)
PubChem CID159527635
Molecular FormulaC146H235ClIN3O63
Molecular Weight3202.80 g/mol
Exact Mass3200.40
IUPAC Name2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]oxyethoxy]ethoxy]ethyl 4-oxopentanoate;2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl (2S)-2-[(2-chloroacetyl)amino]-8-oxodecanoate;bis(2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl 4-ethylbenzoate);2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl (2S)-2-[(2-iodoacetyl)amino]-8-oxodecanoate;tris(2-[2-(2-propanoyloxyethoxy)ethoxy]ethyl 4-oxopentanoate)
SMILESCC(=O)CCC(=O)OCCOCCOCCOC(=O)CONC(=O)OC(C)(C)C.CCC(=O)CCCCC[C@H](NC(=O)CCl)C(=O)OCCOCCOCCOC(=O)CCC(C)=O.CCC(=O)CCCCC[C@H](NC(=O)CI)C(=O)OCCOCCOCCOC(=O)CCC(C)=O.CCC(=O)OCCOCCOCCOC(=O)CCC(C)=O.CCC(=O)OCCOCCOCCOC(=O)CCC(C)=O.CCC(=O)OCCOCCOCCOC(=O)CCC(C)=O.CCc1ccc(C(=O)OCCOCCOCCOC(=O)CCC(C)=O)cc1.CCc1ccc(C(=O)OCCOCCOCCOC(=O)CCC(C)=O)cc1
InChIInChI=1S/C23H38ClNO9.C23H38INO9.2C20H28O7.C18H31NO10.3C14H24O7/c2*1-3-19(27)7-5-4-6-8-20(25-21(28)17-24)23(30)34-16-14-32-12-11-31-13-15-33-22(29)10-9-18(2)26;2*1-3-17-5-7-18(8-6-17)20(23)27-15-13-25-11-10-24-12-14-26-19(22)9-4-16(2)21;1-14(20)5-6-15(21)26-11-9-24-7-8-25-10-12-27-16(22)13-28-19-17(23)29-18(2,3)4;3*1-3-13(16)20-10-8-18-6-7-19-9-11-21-14(17)5-4-12(2)15/h2*20H,3-17H2,1-2H3,(H,25,28);2*5-8H,3-4,9-15H2,1-2H3;5-13H2,1-4H3,(H,19,23);3*3-11H2,1-2H3/t2*20-;;;;;;/m00....../s1
InChIKeyMCOVFJPNXLEAMZ-MAIZNNAKSA-N
XLogP12.74
TPSA844.94 Ų
H-Bond Donors3
H-Bond Acceptors63
Rotatable Bonds126
Heavy Atoms214
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003202.80
LogP ≤ 512.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1063

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]oxyethoxy]ethoxy]ethyl 4-oxopentanoate;2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl (2S)-2-[(2-chloroacetyl)amino]-8-oxodecanoate;bis(2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl 4-ethylbenzoate);2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl (2S)-2-[(2-iodoacetyl)amino]-8-oxodecanoate;tris(2-[2-(2-propanoyloxyethoxy)ethoxy]ethyl 4-oxopentanoate) with MolForge

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Related Compounds

2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]oxyethoxy]ethoxy]ethyl 4-oxopentanoate
CID 118135667
dibutyl 2-[[5-[(1-butoxy-1,5-dioxo-5-phenylmethoxypentan-2-yl)amino]-4-[[2-[2-[2-[[2-[[5-[[1-[2-[2-[2-[[5-[(5-butoxy-1,5-dioxo-1-phenylmethoxypentan-2-yl)amino]-1-[[1,5-dioxo-1,5-bis(phenylmethoxy)pentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]amino]-4-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]ethoxy]ethoxy]acetyl]amino]-5-oxopentanoyl]amino]pentanedioate
CID 171419298
tert-butyl N-[2-(4-ethylanilino)-2-oxoethoxy]carbamate
CID 172690542
dibenzyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxoheptanoyl]amino]pentanedioate
CID 166879231
tert-butyl N-[4-[[(5S)-5-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]-6-oxoheptyl]carbamoyl]phenyl]carbamate
CID 90455586
tert-butyl N-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethylamino]-2-oxoethoxy]carbamate
CID 153344874
benzyl (3R)-3-[[(5S)-5-[[(2R)-2-ethyl-4-oxo-4-phenylmethoxybutanoyl]amino]-9-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]-6-oxononyl]carbamoyl]pentanoate
CID 159527031
bis(4-ethylphenyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate
CID 90955617
1-O-butyl 5-O-tert-butyl (2S)-2-[(14-butoxy-14-oxotetradecanoyl)amino]pentanedioate
CID 169008532
tert-butyl N-[2-[2-[2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]carbamate
CID 59658355
5-O-benzyl 1-O-tert-butyl 2-[10-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenoxy]decanoylamino]pentanedioate
CID 59687925
6-O-benzyl 1-O-tetradecyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanedioate
CID 54104657

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]oxyethoxy]ethoxy]ethyl 4-oxopentanoate;2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl (2S)-2-[(2-chloroacetyl)amino]-8-oxodecanoate;bis(2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl 4-ethylbenzoate);2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl (2S)-2-[(2-iodoacetyl)amino]-8-oxodecanoate;tris(2-[2-(2-propanoyloxyethoxy)ethoxy]ethyl 4-oxopentanoate)?
The IUPAC name of 2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]oxyethoxy]ethoxy]ethyl 4-oxopentanoate;2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl (2S)-2-[(2-chloroacetyl)amino]-8-oxodecanoate;bis(2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl 4-ethylbenzoate);2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl (2S)-2-[(2-iodoacetyl)amino]-8-oxodecanoate;tris(2-[2-(2-propanoyloxyethoxy)ethoxy]ethyl 4-oxopentanoate) (CID 159527635) is 2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]oxyethoxy]ethoxy]ethyl 4-oxopentanoate;2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl (2S)-2-[(2-chloroacetyl)amino]-8-oxodecanoate;bis(2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl 4-ethylbenzoate);2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl (2S)-2-[(2-iodoacetyl)amino]-8-oxodecanoate;tris(2-[2-(2-propanoyloxyethoxy)ethoxy]ethyl 4-oxopentanoate).
What is the SMILES notation for 2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]oxyethoxy]ethoxy]ethyl 4-oxopentanoate;2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl (2S)-2-[(2-chloroacetyl)amino]-8-oxodecanoate;bis(2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl 4-ethylbenzoate);2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl (2S)-2-[(2-iodoacetyl)amino]-8-oxodecanoate;tris(2-[2-(2-propanoyloxyethoxy)ethoxy]ethyl 4-oxopentanoate)?
The canonical SMILES for 2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]oxyethoxy]ethoxy]ethyl 4-oxopentanoate;2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl (2S)-2-[(2-chloroacetyl)amino]-8-oxodecanoate;bis(2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl 4-ethylbenzoate);2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl (2S)-2-[(2-iodoacetyl)amino]-8-oxodecanoate;tris(2-[2-(2-propanoyloxyethoxy)ethoxy]ethyl 4-oxopentanoate) is CC(=O)CCC(=O)OCCOCCOCCOC(=O)CONC(=O)OC(C)(C)C.CCC(=O)CCCCC[C@H](NC(=O)CCl)C(=O)OCCOCCOCCOC(=O)CCC(C)=O.CCC(=O)CCCCC[C@H](NC(=O)CI)C(=O)OCCOCCOCCOC(=O)CCC(C)=O.CCC(=O)OCCOCCOCCOC(=O)CCC(C)=O.CCC(=O)OCCOCCOCCOC(=O)CCC(C)=O.CCC(=O)OCCOCCOCCOC(=O)CCC(C)=O.CCc1ccc(C(=O)OCCOCCOCCOC(=O)CCC(C)=O)cc1.CCc1ccc(C(=O)OCCOCCOCCOC(=O)CCC(C)=O)cc1.
What is the InChIKey of 2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]oxyethoxy]ethoxy]ethyl 4-oxopentanoate;2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl (2S)-2-[(2-chloroacetyl)amino]-8-oxodecanoate;bis(2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl 4-ethylbenzoate);2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl (2S)-2-[(2-iodoacetyl)amino]-8-oxodecanoate;tris(2-[2-(2-propanoyloxyethoxy)ethoxy]ethyl 4-oxopentanoate)?
The InChIKey is MCOVFJPNXLEAMZ-MAIZNNAKSA-N. The full InChI is InChI=1S/C23H38ClNO9.C23H38INO9.2C20H28O7.C18H31NO10.3C14H24O7/c2*1-3-19(27)7-5-4-6-8-20(25-21(28)17-24)23(30)34-16-14-32-12-11-31-13-15-33-22(29)10-9-18(2)26;2*1-3-17-5-7-18(8-6-17)20(23)27-15-13-25-11-10-24-12-14-26-19(22)9-4-16(2)21;1-14(20)5-6-15(21)26-11-9-24-7-8-25-10-12-27-16(22)13-28-19-17(23)29-18(2,3)4;3*1-3-13(16)20-10-8-18-6-7-19-9-11-21-14(17)5-4-12(2)15/h2*20H,3-17H2,1-2H3,(H,25,28);2*5-8H,3-4,9-15H2,1-2H3;5-13H2,1-4H3,(H,19,23);3*3-11H2,1-2H3/t2*20-;;;;;;/m00....../s1.
What are the key properties of 2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]oxyethoxy]ethoxy]ethyl 4-oxopentanoate;2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl (2S)-2-[(2-chloroacetyl)amino]-8-oxodecanoate;bis(2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl 4-ethylbenzoate);2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl (2S)-2-[(2-iodoacetyl)amino]-8-oxodecanoate;tris(2-[2-(2-propanoyloxyethoxy)ethoxy]ethyl 4-oxopentanoate)?
2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]oxyethoxy]ethoxy]ethyl 4-oxopentanoate;2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl (2S)-2-[(2-chloroacetyl)amino]-8-oxodecanoate;bis(2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl 4-ethylbenzoate);2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl (2S)-2-[(2-iodoacetyl)amino]-8-oxodecanoate;tris(2-[2-(2-propanoyloxyethoxy)ethoxy]ethyl 4-oxopentanoate) has a molecular weight of 3202.80 g/mol, XLogP of 12.74, 126 rotatable bonds, 3 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]oxyethoxy]ethoxy]ethyl 4-oxopentanoate;2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl (2S)-2-[(2-chloroacetyl)amino]-8-oxodecanoate;bis(2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl 4-ethylbenzoate);2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethyl (2S)-2-[(2-iodoacetyl)amino]-8-oxodecanoate;tris(2-[2-(2-propanoyloxyethoxy)ethoxy]ethyl 4-oxopentanoate) is sourced from PubChem (CID 159527635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).