N-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2-aminoethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;tert-butyl N-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]carbamate;deuterio(fluoro)methane;2,2,2-trifluoroacetic acid

C64H112F4N8O28 — CID 160931929

IUPACN-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2-aminoethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;tert-butyl N-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]carbamate;deuterio(fluoro)methane;2,2,2-trifluoroacetic acid
SMILESCC(C)(C)OC(=O)NCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O.NCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O.O=C(O)C(F)(F)F.[2H]CF
InChIInChI=1S/C33H58N4O14.C28H50N4O12.C2HF3O2.CH3F/c1-33(2,3)51-32(42)36-9-8-34-29(39)7-12-43-14-16-45-18-20-47-22-24-49-26-27-50-25-23-48-21-19-46-17-15-44-13-10-35-28(38)6-11-37-30(40)4-5-31(37)41;29-5-6-30-26(34)4-9-37-11-13-39-15-17-41-19-21-43-23-24-44-22-20-42-18-16-40-14-12-38-10-7-31-25(33)3-8-32-27(35)1-2-28(32)36;3-2(4,5)1(6)7;1-2/h4-5H,6-27H2,1-3H3,(H,34,39)(H,35,38)(H,36,42);1-2H,3-24,29H2,(H,30,34)(H,31,33);(H,6,7);1H3/i;;;1D
InChIKeyXZHSFWJCTJOKAZ-PBJKEDEQSA-N
MW1518.63 g/mol
LogP-1.18
Rot. Bonds65

About N-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2-aminoethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;tert-butyl N-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]carbamate;deuterio(fluoro)methane;2,2,2-trifluoroacetic acid

N-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2-aminoethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;tert-butyl N-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]carbamate;deuterio(fluoro)methane;2,2,2-trifluoroacetic acid (PubChem CID 160931929) has the molecular formula C64H112F4N8O28 and a molecular weight of 1518.63 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2-aminoethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;tert-butyl N-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]carbamate;deuterio(fluoro)methane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2-aminoethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;tert-butyl N-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]carbamate;deuterio(fluoro)methane;2,2,2-trifluoroacetic acid
PubChem CID160931929
Molecular FormulaC64H112F4N8O28
Molecular Weight1518.63 g/mol
Exact Mass1517.76
IUPAC NameN-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2-aminoethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;tert-butyl N-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]carbamate;deuterio(fluoro)methane;2,2,2-trifluoroacetic acid
SMILESCC(C)(C)OC(=O)NCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O.NCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O.O=C(O)C(F)(F)F.[2H]CF
InChIInChI=1S/C33H58N4O14.C28H50N4O12.C2HF3O2.CH3F/c1-33(2,3)51-32(42)36-9-8-34-29(39)7-12-43-14-16-45-18-20-47-22-24-49-26-27-50-25-23-48-21-19-46-17-15-44-13-10-35-28(38)6-11-37-30(40)4-5-31(37)41;29-5-6-30-26(34)4-9-37-11-13-39-15-17-41-19-21-43-23-24-44-22-20-42-18-16-40-14-12-38-10-7-31-25(33)3-8-32-27(35)1-2-28(32)36;3-2(4,5)1(6)7;1-2/h4-5H,6-27H2,1-3H3,(H,34,39)(H,35,38)(H,36,42);1-2H,3-24,29H2,(H,30,34)(H,31,33);(H,6,7);1H3/i;;;1D
InChIKeyXZHSFWJCTJOKAZ-PBJKEDEQSA-N
XLogP-1.18
TPSA440.49 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds65
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001518.63
LogP ≤ 5-1.18
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze N-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2-aminoethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;tert-butyl N-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]carbamate;deuterio(fluoro)methane;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2-aminoethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;tert-butyl N-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]carbamate;deuterio(fluoro)methane;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2-aminoethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;tert-butyl N-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]carbamate;deuterio(fluoro)methane;2,2,2-trifluoroacetic acid (CID 160931929) is N-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2-aminoethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;tert-butyl N-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]carbamate;deuterio(fluoro)methane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2-aminoethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;tert-butyl N-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]carbamate;deuterio(fluoro)methane;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2-aminoethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;tert-butyl N-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]carbamate;deuterio(fluoro)methane;2,2,2-trifluoroacetic acid is CC(C)(C)OC(=O)NCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O.NCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O.O=C(O)C(F)(F)F.[2H]CF.
What is the InChIKey of N-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2-aminoethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;tert-butyl N-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]carbamate;deuterio(fluoro)methane;2,2,2-trifluoroacetic acid?
The InChIKey is XZHSFWJCTJOKAZ-PBJKEDEQSA-N. The full InChI is InChI=1S/C33H58N4O14.C28H50N4O12.C2HF3O2.CH3F/c1-33(2,3)51-32(42)36-9-8-34-29(39)7-12-43-14-16-45-18-20-47-22-24-49-26-27-50-25-23-48-21-19-46-17-15-44-13-10-35-28(38)6-11-37-30(40)4-5-31(37)41;29-5-6-30-26(34)4-9-37-11-13-39-15-17-41-19-21-43-23-24-44-22-20-42-18-16-40-14-12-38-10-7-31-25(33)3-8-32-27(35)1-2-28(32)36;3-2(4,5)1(6)7;1-2/h4-5H,6-27H2,1-3H3,(H,34,39)(H,35,38)(H,36,42);1-2H,3-24,29H2,(H,30,34)(H,31,33);(H,6,7);1H3/i;;;1D.
What are the key properties of N-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2-aminoethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;tert-butyl N-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]carbamate;deuterio(fluoro)methane;2,2,2-trifluoroacetic acid?
N-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2-aminoethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;tert-butyl N-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]carbamate;deuterio(fluoro)methane;2,2,2-trifluoroacetic acid has a molecular weight of 1518.63 g/mol, XLogP of -1.18, 65 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2-aminoethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;tert-butyl N-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]carbamate;deuterio(fluoro)methane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 160931929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).