N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-8-(1-hydroxybutan-2-yloxy)-8-methoxy-5-oxooctanamide

C23H38N2O9 — CID 122451529

IUPACN-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-8-(1-hydroxybutan-2-yloxy)-8-methoxy-5-oxooctanamide
SMILESCCC(CO)OC(CCC(=O)CCCC(=O)NCCOCCOCCN1C(=O)C=CC1=O)OC
InChIInChI=1S/C23H38N2O9/c1-3-19(17-26)34-23(31-2)10-7-18(27)5-4-6-20(28)24-11-13-32-15-16-33-14-12-25-21(29)8-9-22(25)30/h8-9,19,23,26H,3-7,10-17H2,1-2H3,(H,24,28)
InChIKeyUOUPPUAHTHYHOW-UHFFFAOYSA-N
MW486.56 g/mol
LogP0.34
Rot. Bonds21

About N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-8-(1-hydroxybutan-2-yloxy)-8-methoxy-5-oxooctanamide

N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-8-(1-hydroxybutan-2-yloxy)-8-methoxy-5-oxooctanamide (PubChem CID 122451529) has the molecular formula C23H38N2O9 and a molecular weight of 486.56 g/mol. Its IUPAC name is N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-8-(1-hydroxybutan-2-yloxy)-8-methoxy-5-oxooctanamide.

Molecular Properties

Compound NameN-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-8-(1-hydroxybutan-2-yloxy)-8-methoxy-5-oxooctanamide
PubChem CID122451529
Molecular FormulaC23H38N2O9
Molecular Weight486.56 g/mol
Exact Mass486.26
IUPAC NameN-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-8-(1-hydroxybutan-2-yloxy)-8-methoxy-5-oxooctanamide
SMILESCCC(CO)OC(CCC(=O)CCCC(=O)NCCOCCOCCN1C(=O)C=CC1=O)OC
InChIInChI=1S/C23H38N2O9/c1-3-19(17-26)34-23(31-2)10-7-18(27)5-4-6-20(28)24-11-13-32-15-16-33-14-12-25-21(29)8-9-22(25)30/h8-9,19,23,26H,3-7,10-17H2,1-2H3,(H,24,28)
InChIKeyUOUPPUAHTHYHOW-UHFFFAOYSA-N
XLogP0.34
TPSA140.70 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.56
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-8-(1-hydroxybutan-2-yloxy)-8-methoxy-5-oxooctanamide 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

N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-8-(1-hydroxybutan-2-yloxy)-8-methoxy-5-oxooctanamide;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol;5-[2-(2-hydroxy-1-methoxyethoxy)butoxy]-5-oxopentanoic acid
CID 158638032
8-(1-hydroxybutan-2-yloxy)-8-methoxy-N-[2-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylethyl]-5-oxooctanamide
CID 157386635
6-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]hexanamide
CID 166090102
3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoic acid;5-[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]-5-oxopentanoic acid;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] N-[3-[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]ethylamino]but-3-enyl]carbamate;bis(2-(2-hydroxy-1-methoxyethoxy)butan-1-ol);methane
CID 158417192
N-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-5-methylsulfanylpentanamide
CID 134416223
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 51341049
N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-3-sulfanylpropanamide
CID 146614306
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propanamide
CID 71242767
N-(2,2-dimethoxyethyl)-4-[2-[4-(2,5-dioxopyrrol-1-yl)butoxy]ethoxy]butanamide
CID 59993756
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 135174898
3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-pentylpropanamide
CID 121327567
3-(2,5-dioxopyrrol-1-yl)-N-[2-[6-[[(2R)-3-methylbutan-2-yl]amino]-3-oxohexoxy]ethyl]propanamide
CID 58114207

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-8-(1-hydroxybutan-2-yloxy)-8-methoxy-5-oxooctanamide?
The IUPAC name of N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-8-(1-hydroxybutan-2-yloxy)-8-methoxy-5-oxooctanamide (CID 122451529) is N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-8-(1-hydroxybutan-2-yloxy)-8-methoxy-5-oxooctanamide.
What is the SMILES notation for N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-8-(1-hydroxybutan-2-yloxy)-8-methoxy-5-oxooctanamide?
The canonical SMILES for N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-8-(1-hydroxybutan-2-yloxy)-8-methoxy-5-oxooctanamide is CCC(CO)OC(CCC(=O)CCCC(=O)NCCOCCOCCN1C(=O)C=CC1=O)OC.
What is the InChIKey of N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-8-(1-hydroxybutan-2-yloxy)-8-methoxy-5-oxooctanamide?
The InChIKey is UOUPPUAHTHYHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O9/c1-3-19(17-26)34-23(31-2)10-7-18(27)5-4-6-20(28)24-11-13-32-15-16-33-14-12-25-21(29)8-9-22(25)30/h8-9,19,23,26H,3-7,10-17H2,1-2H3,(H,24,28).
What are the key properties of N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-8-(1-hydroxybutan-2-yloxy)-8-methoxy-5-oxooctanamide?
N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-8-(1-hydroxybutan-2-yloxy)-8-methoxy-5-oxooctanamide has a molecular weight of 486.56 g/mol, XLogP of 0.34, 21 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-8-(1-hydroxybutan-2-yloxy)-8-methoxy-5-oxooctanamide is sourced from PubChem (CID 122451529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).