2-[bis[5-(4,6-dioxoheptoxy)-2-oxopentyl]amino]-N-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxo-6-propoxyhexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide

C51H90N2O19 — CID 158465003

IUPAC2-[bis[5-(4,6-dioxoheptoxy)-2-oxopentyl]amino]-N-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxo-6-propoxyhexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
SMILESCCCOCCCC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CN(CC(=O)CCCOCCCC(=O)CC(C)=O)CC(=O)CCCOCCCC(=O)CC(C)=O
InChIInChI=1S/C51H90N2O19/c1-4-17-62-18-5-10-46(56)15-23-65-25-27-67-29-31-69-33-35-71-37-38-72-36-34-70-32-30-68-28-26-66-24-16-52-51(61)43-53(41-49(59)13-8-21-63-19-6-11-47(57)39-44(2)54)42-50(60)14-9-22-64-20-7-12-48(58)40-45(3)55/h4-43H2,1-3H3,(H,52,61)
InChIKeyZNFSCICWGYBYPY-UHFFFAOYSA-N
MW1035.28 g/mol
LogP3.09
Rot. Bonds59

About 2-[bis[5-(4,6-dioxoheptoxy)-2-oxopentyl]amino]-N-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxo-6-propoxyhexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide

2-[bis[5-(4,6-dioxoheptoxy)-2-oxopentyl]amino]-N-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxo-6-propoxyhexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide (PubChem CID 158465003) has the molecular formula C51H90N2O19 and a molecular weight of 1035.28 g/mol. Its IUPAC name is 2-[bis[5-(4,6-dioxoheptoxy)-2-oxopentyl]amino]-N-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxo-6-propoxyhexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide.

Molecular Properties

Compound Name2-[bis[5-(4,6-dioxoheptoxy)-2-oxopentyl]amino]-N-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxo-6-propoxyhexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
PubChem CID158465003
Molecular FormulaC51H90N2O19
Molecular Weight1035.28 g/mol
Exact Mass1034.61
IUPAC Name2-[bis[5-(4,6-dioxoheptoxy)-2-oxopentyl]amino]-N-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxo-6-propoxyhexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
SMILESCCCOCCCC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CN(CC(=O)CCCOCCCC(=O)CC(C)=O)CC(=O)CCCOCCCC(=O)CC(C)=O
InChIInChI=1S/C51H90N2O19/c1-4-17-62-18-5-10-46(56)15-23-65-25-27-67-29-31-69-33-35-71-37-38-72-36-34-70-32-30-68-28-26-66-24-16-52-51(61)43-53(41-49(59)13-8-21-63-19-6-11-47(57)39-44(2)54)42-50(60)14-9-22-64-20-7-12-48(58)40-45(3)55/h4-43H2,1-3H3,(H,52,61)
InChIKeyZNFSCICWGYBYPY-UHFFFAOYSA-N
XLogP3.09
TPSA253.36 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds59
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001035.28
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-[bis[5-(4,6-dioxoheptoxy)-2-oxopentyl]amino]-N-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxo-6-propoxyhexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide 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-[[2-[bis[5-(4,7-dioxooctoxy)-2-oxopentyl]amino]acetyl]amino]-N-octyl-N'-(2-propoxyethyl)butanediamide
CID 160803704
2-[2-(4-oxoheptoxy)ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide
CID 58214492
N-ethyl-2-[2-[4-oxo-5-[2-[2-[[2-[2-[4-oxo-5-(2-propoxyethoxy)pentoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]pentoxy]ethoxy]acetamide
CID 157294049
5-oxo-8-[2-[2-oxo-2-[2-(2-propoxyethoxy)ethylamino]ethoxy]ethoxy]-2-(propanoylamino)octanoic acid
CID 159013278
hexakis(17-[2-(4-oxohexoxy)ethoxy]heptadecane-2,15-dione);pentakis(15-[2-(4-oxohexoxy)ethoxy]pentadecane-2,13-dione);10-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]dodecanamide
CID 157129322
2-bromo-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 90995903
2-[bis(2-acetamidoethyl)amino]-N-(2-propoxyethyl)acetamide
CID 59098642
N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-2-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl-[2-oxo-2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethyl]amino]acetamide
CID 168986576
decan-3-one;N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]propanamide;6-(2-propoxyethoxy)hexan-3-one;tridecan-3-one;undecane;undecan-3-one
CID 163571556
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(2-propoxyethoxy)propanamide;molecular hydrogen
CID 176987409
2-[ethyl(methyl)amino]-N-[2-(2-propoxyethoxy)ethyl]acetamide
CID 139373767
2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]-N-[2-[2-[2-[2-[[2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[2-[2-[2-[2-[[2-[bis[2-[2-[[2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-(3-hydroxy-2-oxopropyl)amino]ethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethyl]acetamide
CID 159933674

Frequently Asked Questions

What is the IUPAC name of 2-[bis[5-(4,6-dioxoheptoxy)-2-oxopentyl]amino]-N-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxo-6-propoxyhexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide?
The IUPAC name of 2-[bis[5-(4,6-dioxoheptoxy)-2-oxopentyl]amino]-N-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxo-6-propoxyhexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide (CID 158465003) is 2-[bis[5-(4,6-dioxoheptoxy)-2-oxopentyl]amino]-N-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxo-6-propoxyhexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide.
What is the SMILES notation for 2-[bis[5-(4,6-dioxoheptoxy)-2-oxopentyl]amino]-N-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxo-6-propoxyhexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide?
The canonical SMILES for 2-[bis[5-(4,6-dioxoheptoxy)-2-oxopentyl]amino]-N-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxo-6-propoxyhexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide is CCCOCCCC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CN(CC(=O)CCCOCCCC(=O)CC(C)=O)CC(=O)CCCOCCCC(=O)CC(C)=O.
What is the InChIKey of 2-[bis[5-(4,6-dioxoheptoxy)-2-oxopentyl]amino]-N-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxo-6-propoxyhexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide?
The InChIKey is ZNFSCICWGYBYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H90N2O19/c1-4-17-62-18-5-10-46(56)15-23-65-25-27-67-29-31-69-33-35-71-37-38-72-36-34-70-32-30-68-28-26-66-24-16-52-51(61)43-53(41-49(59)13-8-21-63-19-6-11-47(57)39-44(2)54)42-50(60)14-9-22-64-20-7-12-48(58)40-45(3)55/h4-43H2,1-3H3,(H,52,61).
What are the key properties of 2-[bis[5-(4,6-dioxoheptoxy)-2-oxopentyl]amino]-N-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxo-6-propoxyhexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide?
2-[bis[5-(4,6-dioxoheptoxy)-2-oxopentyl]amino]-N-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxo-6-propoxyhexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide has a molecular weight of 1035.28 g/mol, XLogP of 3.09, 59 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[5-(4,6-dioxoheptoxy)-2-oxopentyl]amino]-N-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxo-6-propoxyhexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide is sourced from PubChem (CID 158465003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).