2-[2-[2-[2-[1-[1-[bis[2-[2-(carboxymethoxy)ethoxy]ethyl]amino]ethoxy]-3-[1-[bis[2-(formyloxymethylperoxy)ethyl]amino]ethoxy]-4-[2-[bis[2-(formyloxymethylperoxy)ethyl]amino]ethoxy]butan-2-yl]oxyethyl-[2-[2-(carboxymethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]acetic acid;ethene

C60H110N4O36 — CID 162055951

IUPAC2-[2-[2-[2-[1-[1-[bis[2-[2-(carboxymethoxy)ethoxy]ethyl]amino]ethoxy]-3-[1-[bis[2-(formyloxymethylperoxy)ethyl]amino]ethoxy]-4-[2-[bis[2-(formyloxymethylperoxy)ethyl]amino]ethoxy]butan-2-yl]oxyethyl-[2-[2-(carboxymethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]acetic acid;ethene
SMILESC=C.C=C.C=C.C=C.CC(OCC(OCCN(CCOCCOCC(=O)O)CCOCCOCC(=O)O)C(COCCN(CCOOCOC=O)CCOOCOC=O)OC(C)N(CCOOCOC=O)CCOOCOC=O)N(CCOCCOCC(=O)O)CCOCCOCC(=O)O
InChIInChI=1S/C52H94N4O36.4C2H4/c1-45(55(9-16-71-25-29-76-35-51(65)66)10-17-72-26-30-77-36-52(67)68)83-32-47(82-18-6-53(3-13-69-23-27-74-33-49(61)62)4-14-70-24-28-75-34-50(63)64)48(92-46(2)56(11-21-86-90-43-80-39-59)12-22-87-91-44-81-40-60)31-73-15-5-54(7-19-84-88-41-78-37-57)8-20-85-89-42-79-38-58;4*1-2/h37-40,45-48H,3-36,41-44H2,1-2H3,(H,61,62)(H,63,64)(H,65,66)(H,67,68);4*1-2H2
InChIKeyYZEIDLRKRDICRI-UHFFFAOYSA-N
MW1463.53 g/mol
LogP-0.32
Rot. Bonds77

About 2-[2-[2-[2-[1-[1-[bis[2-[2-(carboxymethoxy)ethoxy]ethyl]amino]ethoxy]-3-[1-[bis[2-(formyloxymethylperoxy)ethyl]amino]ethoxy]-4-[2-[bis[2-(formyloxymethylperoxy)ethyl]amino]ethoxy]butan-2-yl]oxyethyl-[2-[2-(carboxymethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]acetic acid;ethene

2-[2-[2-[2-[1-[1-[bis[2-[2-(carboxymethoxy)ethoxy]ethyl]amino]ethoxy]-3-[1-[bis[2-(formyloxymethylperoxy)ethyl]amino]ethoxy]-4-[2-[bis[2-(formyloxymethylperoxy)ethyl]amino]ethoxy]butan-2-yl]oxyethyl-[2-[2-(carboxymethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]acetic acid;ethene (PubChem CID 162055951) has the molecular formula C60H110N4O36 and a molecular weight of 1463.53 g/mol. Its IUPAC name is 2-[2-[2-[2-[1-[1-[bis[2-[2-(carboxymethoxy)ethoxy]ethyl]amino]ethoxy]-3-[1-[bis[2-(formyloxymethylperoxy)ethyl]amino]ethoxy]-4-[2-[bis[2-(formyloxymethylperoxy)ethyl]amino]ethoxy]butan-2-yl]oxyethyl-[2-[2-(carboxymethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]acetic acid;ethene.

Molecular Properties

Compound Name2-[2-[2-[2-[1-[1-[bis[2-[2-(carboxymethoxy)ethoxy]ethyl]amino]ethoxy]-3-[1-[bis[2-(formyloxymethylperoxy)ethyl]amino]ethoxy]-4-[2-[bis[2-(formyloxymethylperoxy)ethyl]amino]ethoxy]butan-2-yl]oxyethyl-[2-[2-(carboxymethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]acetic acid;ethene
PubChem CID162055951
Molecular FormulaC60H110N4O36
Molecular Weight1463.53 g/mol
Exact Mass1462.69
IUPAC Name2-[2-[2-[2-[1-[1-[bis[2-[2-(carboxymethoxy)ethoxy]ethyl]amino]ethoxy]-3-[1-[bis[2-(formyloxymethylperoxy)ethyl]amino]ethoxy]-4-[2-[bis[2-(formyloxymethylperoxy)ethyl]amino]ethoxy]butan-2-yl]oxyethyl-[2-[2-(carboxymethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]acetic acid;ethene
SMILESC=C.C=C.C=C.C=C.CC(OCC(OCCN(CCOCCOCC(=O)O)CCOCCOCC(=O)O)C(COCCN(CCOOCOC=O)CCOOCOC=O)OC(C)N(CCOOCOC=O)CCOOCOC=O)N(CCOCCOCC(=O)O)CCOCCOCC(=O)O
InChIInChI=1S/C52H94N4O36.4C2H4/c1-45(55(9-16-71-25-29-76-35-51(65)66)10-17-72-26-30-77-36-52(67)68)83-32-47(82-18-6-53(3-13-69-23-27-74-33-49(61)62)4-14-70-24-28-75-34-50(63)64)48(92-46(2)56(11-21-86-90-43-80-39-59)12-22-87-91-44-81-40-60)31-73-15-5-54(7-19-84-88-41-78-37-57)8-20-85-89-42-79-38-58;4*1-2/h37-40,45-48H,3-36,41-44H2,1-2H3,(H,61,62)(H,63,64)(H,65,66)(H,67,68);4*1-2H2
InChIKeyYZEIDLRKRDICRI-UHFFFAOYSA-N
XLogP-0.32
TPSA451.96 Ų
H-Bond Donors4
H-Bond Acceptors36
Rotatable Bonds77
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001463.53
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[2-[2-[2-[1-[1-[bis[2-[2-(carboxymethoxy)ethoxy]ethyl]amino]ethoxy]-3-[1-[bis[2-(formyloxymethylperoxy)ethyl]amino]ethoxy]-4-[2-[bis[2-(formyloxymethylperoxy)ethyl]amino]ethoxy]butan-2-yl]oxyethyl-[2-[2-(carboxymethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]acetic acid;ethene with MolForge

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Related Compounds

2-[2-[2-[2-[1-[1-[bis[2-[2-(2-chloro-2-oxoethoxy)ethoxy]ethyl]amino]ethoxy]-3-[1-[bis[2-(2-chloro-2-oxoethyl)peroxyethyl]amino]ethoxy]-4-[2-[bis[2-(2-chloro-2-oxoethyl)peroxyethyl]amino]ethoxy]butan-2-yl]oxyethyl-[2-[2-(2-chloro-2-oxoethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]acetyl chloride;ethene
CID 161287261
carbanide;2-[carboxymethyl-[2-[2-[2-(2-methylbutoxy)ethoxy]ethoxy]ethyl]amino]acetic acid;copper
CID 22956668
2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid;bis(2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid);ethene
CID 173205461
2-(2-butan-2-yloxyethoxy)acetic acid
CID 58779511
3-[2-[1-carboxyethyl-[2-(1,2-diformyloxyethoxy)ethyl]amino]ethoxy]butanoic acid;2-[2-[2-(1-carboxy-2-formyloxyethoxy)ethyl-[2-(1,2-diformyloxyethoxy)ethyl]amino]ethoxy]butanedioic acid;2-[2-(carboxymethoxy)ethyl-[2-(hydroxymethoxymethoxy)ethyl]amino]acetic acid;2-[2-[carboxymethyl-[2-(1,2-diformyloxyethoxy)ethyl]amino]ethoxy]butanedioic acid;2-[2-[carboxymethyl-[2-[1-(hydroxymethoxy)ethoxy]ethyl]amino]ethoxy]propanoic acid;2-[2-(1,2-dicarboxyethoxy)ethyl-[2-(1,2-diformyloxyethoxy)ethyl]amino]butanedioic acid
CID 157213827
2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-propan-2-ylamino]acetic acid
CID 104564781
2-[2-(3-methylbutoxy)ethoxy]acetic acid
CID 112692943
2-[2-[2-(carboxymethoxy)ethyl-(carboxymethyl)amino]ethoxy]butanedioic acid
CID 137372270
2-[bis(2-propan-2-yloxyethyl)amino]acetic acid
CID 157202089
2-[2-(1-aminoethoxy)ethoxy]acetic acid
CID 19037384
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 15118673
2-[2-[2-[2-[bis(2-oxoethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid
CID 145210953

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[1-[1-[bis[2-[2-(carboxymethoxy)ethoxy]ethyl]amino]ethoxy]-3-[1-[bis[2-(formyloxymethylperoxy)ethyl]amino]ethoxy]-4-[2-[bis[2-(formyloxymethylperoxy)ethyl]amino]ethoxy]butan-2-yl]oxyethyl-[2-[2-(carboxymethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]acetic acid;ethene?
The IUPAC name of 2-[2-[2-[2-[1-[1-[bis[2-[2-(carboxymethoxy)ethoxy]ethyl]amino]ethoxy]-3-[1-[bis[2-(formyloxymethylperoxy)ethyl]amino]ethoxy]-4-[2-[bis[2-(formyloxymethylperoxy)ethyl]amino]ethoxy]butan-2-yl]oxyethyl-[2-[2-(carboxymethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]acetic acid;ethene (CID 162055951) is 2-[2-[2-[2-[1-[1-[bis[2-[2-(carboxymethoxy)ethoxy]ethyl]amino]ethoxy]-3-[1-[bis[2-(formyloxymethylperoxy)ethyl]amino]ethoxy]-4-[2-[bis[2-(formyloxymethylperoxy)ethyl]amino]ethoxy]butan-2-yl]oxyethyl-[2-[2-(carboxymethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]acetic acid;ethene.
What is the SMILES notation for 2-[2-[2-[2-[1-[1-[bis[2-[2-(carboxymethoxy)ethoxy]ethyl]amino]ethoxy]-3-[1-[bis[2-(formyloxymethylperoxy)ethyl]amino]ethoxy]-4-[2-[bis[2-(formyloxymethylperoxy)ethyl]amino]ethoxy]butan-2-yl]oxyethyl-[2-[2-(carboxymethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]acetic acid;ethene?
The canonical SMILES for 2-[2-[2-[2-[1-[1-[bis[2-[2-(carboxymethoxy)ethoxy]ethyl]amino]ethoxy]-3-[1-[bis[2-(formyloxymethylperoxy)ethyl]amino]ethoxy]-4-[2-[bis[2-(formyloxymethylperoxy)ethyl]amino]ethoxy]butan-2-yl]oxyethyl-[2-[2-(carboxymethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]acetic acid;ethene is C=C.C=C.C=C.C=C.CC(OCC(OCCN(CCOCCOCC(=O)O)CCOCCOCC(=O)O)C(COCCN(CCOOCOC=O)CCOOCOC=O)OC(C)N(CCOOCOC=O)CCOOCOC=O)N(CCOCCOCC(=O)O)CCOCCOCC(=O)O.
What is the InChIKey of 2-[2-[2-[2-[1-[1-[bis[2-[2-(carboxymethoxy)ethoxy]ethyl]amino]ethoxy]-3-[1-[bis[2-(formyloxymethylperoxy)ethyl]amino]ethoxy]-4-[2-[bis[2-(formyloxymethylperoxy)ethyl]amino]ethoxy]butan-2-yl]oxyethyl-[2-[2-(carboxymethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]acetic acid;ethene?
The InChIKey is YZEIDLRKRDICRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H94N4O36.4C2H4/c1-45(55(9-16-71-25-29-76-35-51(65)66)10-17-72-26-30-77-36-52(67)68)83-32-47(82-18-6-53(3-13-69-23-27-74-33-49(61)62)4-14-70-24-28-75-34-50(63)64)48(92-46(2)56(11-21-86-90-43-80-39-59)12-22-87-91-44-81-40-60)31-73-15-5-54(7-19-84-88-41-78-37-57)8-20-85-89-42-79-38-58;4*1-2/h37-40,45-48H,3-36,41-44H2,1-2H3,(H,61,62)(H,63,64)(H,65,66)(H,67,68);4*1-2H2.
What are the key properties of 2-[2-[2-[2-[1-[1-[bis[2-[2-(carboxymethoxy)ethoxy]ethyl]amino]ethoxy]-3-[1-[bis[2-(formyloxymethylperoxy)ethyl]amino]ethoxy]-4-[2-[bis[2-(formyloxymethylperoxy)ethyl]amino]ethoxy]butan-2-yl]oxyethyl-[2-[2-(carboxymethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]acetic acid;ethene?
2-[2-[2-[2-[1-[1-[bis[2-[2-(carboxymethoxy)ethoxy]ethyl]amino]ethoxy]-3-[1-[bis[2-(formyloxymethylperoxy)ethyl]amino]ethoxy]-4-[2-[bis[2-(formyloxymethylperoxy)ethyl]amino]ethoxy]butan-2-yl]oxyethyl-[2-[2-(carboxymethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]acetic acid;ethene has a molecular weight of 1463.53 g/mol, XLogP of -0.32, 77 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[1-[1-[bis[2-[2-(carboxymethoxy)ethoxy]ethyl]amino]ethoxy]-3-[1-[bis[2-(formyloxymethylperoxy)ethyl]amino]ethoxy]-4-[2-[bis[2-(formyloxymethylperoxy)ethyl]amino]ethoxy]butan-2-yl]oxyethyl-[2-[2-(carboxymethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]acetic acid;ethene is sourced from PubChem (CID 162055951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).