3-(3-amino-2,5-dioxopyrrolidin-1-yl)-N-[3-[4-[3-[4-(3-methoxy-3-methylbutoxy)-2-[2-(3-methoxy-3-methylbutoxy)propan-2-yl]-4-methylpentoxy]-3-methylbutoxy]-2-[2-[3-[4-(3-methoxy-3-methylbutoxy)-2-[2-(3-methoxy-3-methylbutoxy)propan-2-yl]-4-methylpentoxy]-3-methylbutoxy]propan-2-yl]-4-methylpentoxy]propyl]propanamide

C71H139N3O16 — CID 143885692

IUPAC3-(3-amino-2,5-dioxopyrrolidin-1-yl)-N-[3-[4-[3-[4-(3-methoxy-3-methylbutoxy)-2-[2-(3-methoxy-3-methylbutoxy)propan-2-yl]-4-methylpentoxy]-3-methylbutoxy]-2-[2-[3-[4-(3-methoxy-3-methylbutoxy)-2-[2-(3-methoxy-3-methylbutoxy)propan-2-yl]-4-methylpentoxy]-3-methylbutoxy]propan-2-yl]-4-methylpentoxy]propyl]propanamide
SMILESCOC(C)(C)CCOC(C)(C)CC(COC(C)(C)CCOC(C)(C)CC(COCCCNC(=O)CCN1C(=O)CC(N)C1=O)C(C)(C)OCCC(C)(C)OCC(CC(C)(C)OCCC(C)(C)OC)C(C)(C)OCCC(C)(C)OC)C(C)(C)OCCC(C)(C)OC
InChIInChI=1S/C71H139N3O16/c1-60(2,78-25)31-40-83-67(15,16)48-54(70(21,22)86-43-33-62(5,6)80-27)51-89-64(9,10)35-42-85-66(13,14)47-53(50-82-39-29-37-73-57(75)30-38-74-58(76)46-56(72)59(74)77)69(19,20)88-45-36-65(11,12)90-52-55(71(23,24)87-44-34-63(7,8)81-28)49-68(17,18)84-41-32-61(3,4)79-26/h53-56H,29-52,72H2,1-28H3,(H,73,75)
InChIKeyOYPDHRNHLCLIAU-UHFFFAOYSA-N
MW1290.90 g/mol
LogP12.41
Rot. Bonds52

About 3-(3-amino-2,5-dioxopyrrolidin-1-yl)-N-[3-[4-[3-[4-(3-methoxy-3-methylbutoxy)-2-[2-(3-methoxy-3-methylbutoxy)propan-2-yl]-4-methylpentoxy]-3-methylbutoxy]-2-[2-[3-[4-(3-methoxy-3-methylbutoxy)-2-[2-(3-methoxy-3-methylbutoxy)propan-2-yl]-4-methylpentoxy]-3-methylbutoxy]propan-2-yl]-4-methylpentoxy]propyl]propanamide

3-(3-amino-2,5-dioxopyrrolidin-1-yl)-N-[3-[4-[3-[4-(3-methoxy-3-methylbutoxy)-2-[2-(3-methoxy-3-methylbutoxy)propan-2-yl]-4-methylpentoxy]-3-methylbutoxy]-2-[2-[3-[4-(3-methoxy-3-methylbutoxy)-2-[2-(3-methoxy-3-methylbutoxy)propan-2-yl]-4-methylpentoxy]-3-methylbutoxy]propan-2-yl]-4-methylpentoxy]propyl]propanamide (PubChem CID 143885692) has the molecular formula C71H139N3O16 and a molecular weight of 1290.90 g/mol. Its IUPAC name is 3-(3-amino-2,5-dioxopyrrolidin-1-yl)-N-[3-[4-[3-[4-(3-methoxy-3-methylbutoxy)-2-[2-(3-methoxy-3-methylbutoxy)propan-2-yl]-4-methylpentoxy]-3-methylbutoxy]-2-[2-[3-[4-(3-methoxy-3-methylbutoxy)-2-[2-(3-methoxy-3-methylbutoxy)propan-2-yl]-4-methylpentoxy]-3-methylbutoxy]propan-2-yl]-4-methylpentoxy]propyl]propanamide.

Molecular Properties

Compound Name3-(3-amino-2,5-dioxopyrrolidin-1-yl)-N-[3-[4-[3-[4-(3-methoxy-3-methylbutoxy)-2-[2-(3-methoxy-3-methylbutoxy)propan-2-yl]-4-methylpentoxy]-3-methylbutoxy]-2-[2-[3-[4-(3-methoxy-3-methylbutoxy)-2-[2-(3-methoxy-3-methylbutoxy)propan-2-yl]-4-methylpentoxy]-3-methylbutoxy]propan-2-yl]-4-methylpentoxy]propyl]propanamide
PubChem CID143885692
Molecular FormulaC71H139N3O16
Molecular Weight1290.90 g/mol
Exact Mass1290.02
IUPAC Name3-(3-amino-2,5-dioxopyrrolidin-1-yl)-N-[3-[4-[3-[4-(3-methoxy-3-methylbutoxy)-2-[2-(3-methoxy-3-methylbutoxy)propan-2-yl]-4-methylpentoxy]-3-methylbutoxy]-2-[2-[3-[4-(3-methoxy-3-methylbutoxy)-2-[2-(3-methoxy-3-methylbutoxy)propan-2-yl]-4-methylpentoxy]-3-methylbutoxy]propan-2-yl]-4-methylpentoxy]propyl]propanamide
SMILESCOC(C)(C)CCOC(C)(C)CC(COC(C)(C)CCOC(C)(C)CC(COCCCNC(=O)CCN1C(=O)CC(N)C1=O)C(C)(C)OCCC(C)(C)OCC(CC(C)(C)OCCC(C)(C)OC)C(C)(C)OCCC(C)(C)OC)C(C)(C)OCCC(C)(C)OC
InChIInChI=1S/C71H139N3O16/c1-60(2,78-25)31-40-83-67(15,16)48-54(70(21,22)86-43-33-62(5,6)80-27)51-89-64(9,10)35-42-85-66(13,14)47-53(50-82-39-29-37-73-57(75)30-38-74-58(76)46-56(72)59(74)77)69(19,20)88-45-36-65(11,12)90-52-55(71(23,24)87-44-34-63(7,8)81-28)49-68(17,18)84-41-32-61(3,4)79-26/h53-56H,29-52,72H2,1-28H3,(H,73,75)
InChIKeyOYPDHRNHLCLIAU-UHFFFAOYSA-N
XLogP12.41
TPSA212.49 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds52
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001290.90
LogP ≤ 512.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 3-(3-amino-2,5-dioxopyrrolidin-1-yl)-N-[3-[4-[3-[4-(3-methoxy-3-methylbutoxy)-2-[2-(3-methoxy-3-methylbutoxy)propan-2-yl]-4-methylpentoxy]-3-methylbutoxy]-2-[2-[3-[4-(3-methoxy-3-methylbutoxy)-2-[2-(3-methoxy-3-methylbutoxy)propan-2-yl]-4-methylpentoxy]-3-methylbutoxy]propan-2-yl]-4-methylpentoxy]propyl]propanamide with MolForge

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Related Compounds

3-(2,5-dioxopyrrol-1-yl)-N-[4-(3-methoxy-3-methylbutoxy)-4-methylpentyl]propanamide
CID 123808310
3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[3-[3-[2-[3-(3-methoxy-3-methylbutoxy)butoxy]ethoxy]-2-[2-[3-(3-methylbutoxy)butoxy]ethoxy]propoxy]propyl]propanamide;methanol
CID 142314212
3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[3-methyl-3-(3,3,4-trimethylpentoxy)butyl]propanamide
CID 170010835
3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[3-[3-methyl-3-[[methyl-(4-methyl-2-propan-2-ylpentoxy)amino]methoxy]butoxy]propyl]propanamide
CID 166661172
3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[3-methyl-3-(3,3,5-trimethyl-4-oxohexoxy)butyl]propanamide
CID 167062986
CID 91274950
CID 91274950
N-(4-methoxybutyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 59331203
(4R)-5-amino-4-[3-[3-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanoylamino]-5-oxopentanoic acid
CID 121371623
N-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 118907319
N-[3-(aminomethoxy)-3-methylbutyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 130471010
N-[1-amino-6-[3-[4-[4-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoylamino]-2-methylbutan-2-yl]oxy-2-methylbutan-2-yl]oxypropanoylamino]-1-oxohexan-2-yl]dodecanamide
CID 155356353
tert-butyl N-[4-[[4-(3-methoxy-3-methylbutoxy)-4-methylpentanoyl]amino]butoxy]carbamate
CID 142997826

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2,5-dioxopyrrolidin-1-yl)-N-[3-[4-[3-[4-(3-methoxy-3-methylbutoxy)-2-[2-(3-methoxy-3-methylbutoxy)propan-2-yl]-4-methylpentoxy]-3-methylbutoxy]-2-[2-[3-[4-(3-methoxy-3-methylbutoxy)-2-[2-(3-methoxy-3-methylbutoxy)propan-2-yl]-4-methylpentoxy]-3-methylbutoxy]propan-2-yl]-4-methylpentoxy]propyl]propanamide?
The IUPAC name of 3-(3-amino-2,5-dioxopyrrolidin-1-yl)-N-[3-[4-[3-[4-(3-methoxy-3-methylbutoxy)-2-[2-(3-methoxy-3-methylbutoxy)propan-2-yl]-4-methylpentoxy]-3-methylbutoxy]-2-[2-[3-[4-(3-methoxy-3-methylbutoxy)-2-[2-(3-methoxy-3-methylbutoxy)propan-2-yl]-4-methylpentoxy]-3-methylbutoxy]propan-2-yl]-4-methylpentoxy]propyl]propanamide (CID 143885692) is 3-(3-amino-2,5-dioxopyrrolidin-1-yl)-N-[3-[4-[3-[4-(3-methoxy-3-methylbutoxy)-2-[2-(3-methoxy-3-methylbutoxy)propan-2-yl]-4-methylpentoxy]-3-methylbutoxy]-2-[2-[3-[4-(3-methoxy-3-methylbutoxy)-2-[2-(3-methoxy-3-methylbutoxy)propan-2-yl]-4-methylpentoxy]-3-methylbutoxy]propan-2-yl]-4-methylpentoxy]propyl]propanamide.
What is the SMILES notation for 3-(3-amino-2,5-dioxopyrrolidin-1-yl)-N-[3-[4-[3-[4-(3-methoxy-3-methylbutoxy)-2-[2-(3-methoxy-3-methylbutoxy)propan-2-yl]-4-methylpentoxy]-3-methylbutoxy]-2-[2-[3-[4-(3-methoxy-3-methylbutoxy)-2-[2-(3-methoxy-3-methylbutoxy)propan-2-yl]-4-methylpentoxy]-3-methylbutoxy]propan-2-yl]-4-methylpentoxy]propyl]propanamide?
The canonical SMILES for 3-(3-amino-2,5-dioxopyrrolidin-1-yl)-N-[3-[4-[3-[4-(3-methoxy-3-methylbutoxy)-2-[2-(3-methoxy-3-methylbutoxy)propan-2-yl]-4-methylpentoxy]-3-methylbutoxy]-2-[2-[3-[4-(3-methoxy-3-methylbutoxy)-2-[2-(3-methoxy-3-methylbutoxy)propan-2-yl]-4-methylpentoxy]-3-methylbutoxy]propan-2-yl]-4-methylpentoxy]propyl]propanamide is COC(C)(C)CCOC(C)(C)CC(COC(C)(C)CCOC(C)(C)CC(COCCCNC(=O)CCN1C(=O)CC(N)C1=O)C(C)(C)OCCC(C)(C)OCC(CC(C)(C)OCCC(C)(C)OC)C(C)(C)OCCC(C)(C)OC)C(C)(C)OCCC(C)(C)OC.
What is the InChIKey of 3-(3-amino-2,5-dioxopyrrolidin-1-yl)-N-[3-[4-[3-[4-(3-methoxy-3-methylbutoxy)-2-[2-(3-methoxy-3-methylbutoxy)propan-2-yl]-4-methylpentoxy]-3-methylbutoxy]-2-[2-[3-[4-(3-methoxy-3-methylbutoxy)-2-[2-(3-methoxy-3-methylbutoxy)propan-2-yl]-4-methylpentoxy]-3-methylbutoxy]propan-2-yl]-4-methylpentoxy]propyl]propanamide?
The InChIKey is OYPDHRNHLCLIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H139N3O16/c1-60(2,78-25)31-40-83-67(15,16)48-54(70(21,22)86-43-33-62(5,6)80-27)51-89-64(9,10)35-42-85-66(13,14)47-53(50-82-39-29-37-73-57(75)30-38-74-58(76)46-56(72)59(74)77)69(19,20)88-45-36-65(11,12)90-52-55(71(23,24)87-44-34-63(7,8)81-28)49-68(17,18)84-41-32-61(3,4)79-26/h53-56H,29-52,72H2,1-28H3,(H,73,75).
What are the key properties of 3-(3-amino-2,5-dioxopyrrolidin-1-yl)-N-[3-[4-[3-[4-(3-methoxy-3-methylbutoxy)-2-[2-(3-methoxy-3-methylbutoxy)propan-2-yl]-4-methylpentoxy]-3-methylbutoxy]-2-[2-[3-[4-(3-methoxy-3-methylbutoxy)-2-[2-(3-methoxy-3-methylbutoxy)propan-2-yl]-4-methylpentoxy]-3-methylbutoxy]propan-2-yl]-4-methylpentoxy]propyl]propanamide?
3-(3-amino-2,5-dioxopyrrolidin-1-yl)-N-[3-[4-[3-[4-(3-methoxy-3-methylbutoxy)-2-[2-(3-methoxy-3-methylbutoxy)propan-2-yl]-4-methylpentoxy]-3-methylbutoxy]-2-[2-[3-[4-(3-methoxy-3-methylbutoxy)-2-[2-(3-methoxy-3-methylbutoxy)propan-2-yl]-4-methylpentoxy]-3-methylbutoxy]propan-2-yl]-4-methylpentoxy]propyl]propanamide has a molecular weight of 1290.90 g/mol, XLogP of 12.41, 52 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2,5-dioxopyrrolidin-1-yl)-N-[3-[4-[3-[4-(3-methoxy-3-methylbutoxy)-2-[2-(3-methoxy-3-methylbutoxy)propan-2-yl]-4-methylpentoxy]-3-methylbutoxy]-2-[2-[3-[4-(3-methoxy-3-methylbutoxy)-2-[2-(3-methoxy-3-methylbutoxy)propan-2-yl]-4-methylpentoxy]-3-methylbutoxy]propan-2-yl]-4-methylpentoxy]propyl]propanamide is sourced from PubChem (CID 143885692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).