N-[2-[2-[3-[2-[bis[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]ethyl]amino]ethylamino]-3-oxopropoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide

C48H72N10O18 — CID 86276370

IUPACN-[2-[2-[3-[2-[bis[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]ethyl]amino]ethylamino]-3-oxopropoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESO=C(CCOCCOCCNC(=O)CCN1C(=O)C=CC1=O)NCCN(CCNC(=O)CCOCCOCCNC(=O)CCN1C(=O)C=CC1=O)CCNC(=O)CCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C48H72N10O18/c59-37(7-19-56-43(65)1-2-44(56)66)52-16-28-74-34-31-71-25-10-40(62)49-13-22-55(23-14-50-41(63)11-26-72-32-35-75-29-17-53-38(60)8-20-57-45(67)3-4-46(57)68)24-15-51-42(64)12-27-73-33-36-76-30-18-54-39(61)9-21-58-47(69)5-6-48(58)70/h1-6H,7-36H2,(H,49,62)(H,50,63)(H,51,64)(H,52,59)(H,53,60)(H,54,61)
InChIKeyFIQXEOSOGUMXAI-UHFFFAOYSA-N
MW1077.16 g/mol
LogP-4.80
Rot. Bonds45

About N-[2-[2-[3-[2-[bis[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]ethyl]amino]ethylamino]-3-oxopropoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide

N-[2-[2-[3-[2-[bis[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]ethyl]amino]ethylamino]-3-oxopropoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide (PubChem CID 86276370) has the molecular formula C48H72N10O18 and a molecular weight of 1077.16 g/mol. Its IUPAC name is N-[2-[2-[3-[2-[bis[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]ethyl]amino]ethylamino]-3-oxopropoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-[2-[3-[2-[bis[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]ethyl]amino]ethylamino]-3-oxopropoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
PubChem CID86276370
Molecular FormulaC48H72N10O18
Molecular Weight1077.16 g/mol
Exact Mass1076.50
IUPAC NameN-[2-[2-[3-[2-[bis[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]ethyl]amino]ethylamino]-3-oxopropoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESO=C(CCOCCOCCNC(=O)CCN1C(=O)C=CC1=O)NCCN(CCNC(=O)CCOCCOCCNC(=O)CCN1C(=O)C=CC1=O)CCNC(=O)CCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C48H72N10O18/c59-37(7-19-56-43(65)1-2-44(56)66)52-16-28-74-34-31-71-25-10-40(62)49-13-22-55(23-14-50-41(63)11-26-72-32-35-75-29-17-53-38(60)8-20-57-45(67)3-4-46(57)68)24-15-51-42(64)12-27-73-33-36-76-30-18-54-39(61)9-21-58-47(69)5-6-48(58)70/h1-6H,7-36H2,(H,49,62)(H,50,63)(H,51,64)(H,52,59)(H,53,60)(H,54,61)
InChIKeyFIQXEOSOGUMXAI-UHFFFAOYSA-N
XLogP-4.80
TPSA345.36 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds45
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001077.16
LogP ≤ 5-4.80
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze N-[2-[2-[3-[2-[bis[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]ethyl]amino]ethylamino]-3-oxopropoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3-[2-[bis[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]ethyl]amino]ethylamino]-3-oxopropoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The IUPAC name of N-[2-[2-[3-[2-[bis[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]ethyl]amino]ethylamino]-3-oxopropoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide (CID 86276370) is N-[2-[2-[3-[2-[bis[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]ethyl]amino]ethylamino]-3-oxopropoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide.
What is the SMILES notation for N-[2-[2-[3-[2-[bis[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]ethyl]amino]ethylamino]-3-oxopropoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The canonical SMILES for N-[2-[2-[3-[2-[bis[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]ethyl]amino]ethylamino]-3-oxopropoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide is O=C(CCOCCOCCNC(=O)CCN1C(=O)C=CC1=O)NCCN(CCNC(=O)CCOCCOCCNC(=O)CCN1C(=O)C=CC1=O)CCNC(=O)CCOCCOCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of N-[2-[2-[3-[2-[bis[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]ethyl]amino]ethylamino]-3-oxopropoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The InChIKey is FIQXEOSOGUMXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H72N10O18/c59-37(7-19-56-43(65)1-2-44(56)66)52-16-28-74-34-31-71-25-10-40(62)49-13-22-55(23-14-50-41(63)11-26-72-32-35-75-29-17-53-38(60)8-20-57-45(67)3-4-46(57)68)24-15-51-42(64)12-27-73-33-36-76-30-18-54-39(61)9-21-58-47(69)5-6-48(58)70/h1-6H,7-36H2,(H,49,62)(H,50,63)(H,51,64)(H,52,59)(H,53,60)(H,54,61).
What are the key properties of N-[2-[2-[3-[2-[bis[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]ethyl]amino]ethylamino]-3-oxopropoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
N-[2-[2-[3-[2-[bis[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]ethyl]amino]ethylamino]-3-oxopropoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide has a molecular weight of 1077.16 g/mol, XLogP of -4.80, 45 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[3-[2-[bis[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]ethyl]amino]ethylamino]-3-oxopropoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide is sourced from PubChem (CID 86276370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).