12-(3-methyl-2,5-dioxopyrrolidin-1-yl)-10-oxo-N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]dodecanamide

C43H74N4O16 — CID 58143532

IUPAC12-(3-methyl-2,5-dioxopyrrolidin-1-yl)-10-oxo-N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]dodecanamide
SMILESCC(=O)COCCOCCCC(=O)COCCOCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCCCCCCCC(=O)CCN1C(=O)CC(C)C1=O
InChIInChI=1S/C43H74N4O16/c1-35-30-42(54)47(43(35)55)17-13-37(49)10-7-5-3-4-6-8-12-39(51)44-14-19-57-24-28-62-33-41(53)46-16-21-59-25-29-63-34-40(52)45-15-20-58-23-27-61-32-38(50)11-9-18-56-22-26-60-31-36(2)48/h35H,3-34H2,1-2H3,(H,44,51)(H,45,52)(H,46,53)
InChIKeySUXDDFNCGQHXCR-UHFFFAOYSA-N
MW903.08 g/mol
LogP0.88
Rot. Bonds45

About 12-(3-methyl-2,5-dioxopyrrolidin-1-yl)-10-oxo-N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]dodecanamide

12-(3-methyl-2,5-dioxopyrrolidin-1-yl)-10-oxo-N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]dodecanamide (PubChem CID 58143532) has the molecular formula C43H74N4O16 and a molecular weight of 903.08 g/mol. Its IUPAC name is 12-(3-methyl-2,5-dioxopyrrolidin-1-yl)-10-oxo-N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]dodecanamide.

Molecular Properties

Compound Name12-(3-methyl-2,5-dioxopyrrolidin-1-yl)-10-oxo-N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]dodecanamide
PubChem CID58143532
Molecular FormulaC43H74N4O16
Molecular Weight903.08 g/mol
Exact Mass902.51
IUPAC Name12-(3-methyl-2,5-dioxopyrrolidin-1-yl)-10-oxo-N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]dodecanamide
SMILESCC(=O)COCCOCCCC(=O)COCCOCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCCCCCCCC(=O)CCN1C(=O)CC(C)C1=O
InChIInChI=1S/C43H74N4O16/c1-35-30-42(54)47(43(35)55)17-13-37(49)10-7-5-3-4-6-8-12-39(51)44-14-19-57-24-28-62-33-41(53)46-16-21-59-25-29-63-34-40(52)45-15-20-58-23-27-61-32-38(50)11-9-18-56-22-26-60-31-36(2)48/h35H,3-34H2,1-2H3,(H,44,51)(H,45,52)(H,46,53)
InChIKeySUXDDFNCGQHXCR-UHFFFAOYSA-N
XLogP0.88
TPSA249.73 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds45
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500903.08
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 12-(3-methyl-2,5-dioxopyrrolidin-1-yl)-10-oxo-N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]dodecanamide with MolForge

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Related Compounds

2-[2-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxohexoxy]ethoxy]-N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]acetamide
CID 58143581
2-[2-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]ethoxy]ethyl N-[2-[2-(2-methoxyethylamino)-2-oxoethoxy]ethyl]carbamate
CID 71121241
N-(2-butoxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 163865588
6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(3-oxobutyl)hexanamide
CID 122596559
ethane;3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide
CID 155745456
1-(3,20-dioxohenicosyl)-3-methylpyrrolidine-2,5-dione
CID 58143563
6-oxo-N-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethyl]octanamide
CID 58143549
tetrakis(18-[[(1S)-1-carboxy-7-(2-methoxyethoxy)-4-oxoheptyl]amino]-18-oxooctadecanoic acid);4-hydroxy-3-methyl-N-[3-oxo-3-[[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]amino]propyl]pent-4-enamide;3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]propanamide;2-methyl-4-oxo-N-[3-oxo-3-[[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]amino]propyl]pentanamide;N-[4-oxo-5-[2-[2-(propanoylamino)ethoxy]ethoxy]pentyl]propanamide
CID 158146591
6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-2-(2-oxopropylamino)ethyl]hexanamide
CID 167275837
3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methyl-3-oxopentoxy)ethyl]propanamide
CID 121480755
2-[2-(4-oxoheptoxy)ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide
CID 58214492
N-(5-acetamidopentyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 58519834

Frequently Asked Questions

What is the IUPAC name of 12-(3-methyl-2,5-dioxopyrrolidin-1-yl)-10-oxo-N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]dodecanamide?
The IUPAC name of 12-(3-methyl-2,5-dioxopyrrolidin-1-yl)-10-oxo-N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]dodecanamide (CID 58143532) is 12-(3-methyl-2,5-dioxopyrrolidin-1-yl)-10-oxo-N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]dodecanamide.
What is the SMILES notation for 12-(3-methyl-2,5-dioxopyrrolidin-1-yl)-10-oxo-N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]dodecanamide?
The canonical SMILES for 12-(3-methyl-2,5-dioxopyrrolidin-1-yl)-10-oxo-N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]dodecanamide is CC(=O)COCCOCCCC(=O)COCCOCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCCCCCCCC(=O)CCN1C(=O)CC(C)C1=O.
What is the InChIKey of 12-(3-methyl-2,5-dioxopyrrolidin-1-yl)-10-oxo-N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]dodecanamide?
The InChIKey is SUXDDFNCGQHXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H74N4O16/c1-35-30-42(54)47(43(35)55)17-13-37(49)10-7-5-3-4-6-8-12-39(51)44-14-19-57-24-28-62-33-41(53)46-16-21-59-25-29-63-34-40(52)45-15-20-58-23-27-61-32-38(50)11-9-18-56-22-26-60-31-36(2)48/h35H,3-34H2,1-2H3,(H,44,51)(H,45,52)(H,46,53).
What are the key properties of 12-(3-methyl-2,5-dioxopyrrolidin-1-yl)-10-oxo-N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]dodecanamide?
12-(3-methyl-2,5-dioxopyrrolidin-1-yl)-10-oxo-N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]dodecanamide has a molecular weight of 903.08 g/mol, XLogP of 0.88, 45 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(3-methyl-2,5-dioxopyrrolidin-1-yl)-10-oxo-N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]dodecanamide is sourced from PubChem (CID 58143532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).