3-(2,5-dioxo-3-phosphanylpyrrolidin-1-yl)-N-[9-(1-ethoxyethoxy)-6-oxononyl]propanamide

C20H35N2O6P — CID 164986885

IUPAC3-(2,5-dioxo-3-phosphanylpyrrolidin-1-yl)-N-[9-(1-ethoxyethoxy)-6-oxononyl]propanamide
SMILESCCOC(C)OCCCC(=O)CCCCCNC(=O)CCN1C(=O)CC(P)C1=O
InChIInChI=1S/C20H35N2O6P/c1-3-27-15(2)28-13-7-9-16(23)8-5-4-6-11-21-18(24)10-12-22-19(25)14-17(29)20(22)26/h15,17H,3-14,29H2,1-2H3,(H,21,24)
InChIKeyNEBLYNXFWLOJSB-UHFFFAOYSA-N
MW430.48 g/mol
LogP1.80
Rot. Bonds16

About 3-(2,5-dioxo-3-phosphanylpyrrolidin-1-yl)-N-[9-(1-ethoxyethoxy)-6-oxononyl]propanamide

3-(2,5-dioxo-3-phosphanylpyrrolidin-1-yl)-N-[9-(1-ethoxyethoxy)-6-oxononyl]propanamide (PubChem CID 164986885) has the molecular formula C20H35N2O6P and a molecular weight of 430.48 g/mol. Its IUPAC name is 3-(2,5-dioxo-3-phosphanylpyrrolidin-1-yl)-N-[9-(1-ethoxyethoxy)-6-oxononyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxo-3-phosphanylpyrrolidin-1-yl)-N-[9-(1-ethoxyethoxy)-6-oxononyl]propanamide
PubChem CID164986885
Molecular FormulaC20H35N2O6P
Molecular Weight430.48 g/mol
Exact Mass430.22
IUPAC Name3-(2,5-dioxo-3-phosphanylpyrrolidin-1-yl)-N-[9-(1-ethoxyethoxy)-6-oxononyl]propanamide
SMILESCCOC(C)OCCCC(=O)CCCCCNC(=O)CCN1C(=O)CC(P)C1=O
InChIInChI=1S/C20H35N2O6P/c1-3-27-15(2)28-13-7-9-16(23)8-5-4-6-11-21-18(24)10-12-22-19(25)14-17(29)20(22)26/h15,17H,3-14,29H2,1-2H3,(H,21,24)
InChIKeyNEBLYNXFWLOJSB-UHFFFAOYSA-N
XLogP1.80
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxybutyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 59331203
3-[2-[6-[2,5-dioxo-3-[3-oxo-3-(pentylamino)propyl]sulfanylpyrrolidin-1-yl]-4-oxohexoxy]ethoxy]-N-pentylpropanamide
CID 158910983
N-(5-acetamidopentyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 58519834
6-[3-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)propanoylamino]hexyl sulfanyl hydrogen phosphite
CID 166462592
6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(4-methylpentyl)hexanamide
CID 171520139
N-(2-butoxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 163865588
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
N,N'-dihexylheptanediamide;heptane;1-hexoxyhexane;[6-(hexylamino)-6-oxohexyl] N-hexylcarbamate;N-hexylheptanamide;N-hexylhexan-1-amine;hexyl N-hexylcarbamate;N-hexyl-6-(3-hexylsulfanyl-2,5-dioxopyrrolidin-1-yl)hexanamide;N-hexyl-7-oxotridecanamide;3-hexylsulfanyl-1-(6-oxododecyl)pyrrolidine-2,5-dione;6-oxododecyl N-hexylcarbamate;tridecan-7-one
CID 167677672
18-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethylamino]-18-oxooctadecanoic acid
CID 164802056
3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methyl-3-oxopentoxy)ethyl]propanamide
CID 121480755
[3-(ethylcarbamoyloxy)-2-(4-oxopentoxy)propyl] N-ethylcarbamate;3-methyl-N,N'-bis[2-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]pentanediamide
CID 160885077
3-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)-N-[2-(methylamino)ethyl]propanamide
CID 88983253

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxo-3-phosphanylpyrrolidin-1-yl)-N-[9-(1-ethoxyethoxy)-6-oxononyl]propanamide?
The IUPAC name of 3-(2,5-dioxo-3-phosphanylpyrrolidin-1-yl)-N-[9-(1-ethoxyethoxy)-6-oxononyl]propanamide (CID 164986885) is 3-(2,5-dioxo-3-phosphanylpyrrolidin-1-yl)-N-[9-(1-ethoxyethoxy)-6-oxononyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxo-3-phosphanylpyrrolidin-1-yl)-N-[9-(1-ethoxyethoxy)-6-oxononyl]propanamide?
The canonical SMILES for 3-(2,5-dioxo-3-phosphanylpyrrolidin-1-yl)-N-[9-(1-ethoxyethoxy)-6-oxononyl]propanamide is CCOC(C)OCCCC(=O)CCCCCNC(=O)CCN1C(=O)CC(P)C1=O.
What is the InChIKey of 3-(2,5-dioxo-3-phosphanylpyrrolidin-1-yl)-N-[9-(1-ethoxyethoxy)-6-oxononyl]propanamide?
The InChIKey is NEBLYNXFWLOJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N2O6P/c1-3-27-15(2)28-13-7-9-16(23)8-5-4-6-11-21-18(24)10-12-22-19(25)14-17(29)20(22)26/h15,17H,3-14,29H2,1-2H3,(H,21,24).
What are the key properties of 3-(2,5-dioxo-3-phosphanylpyrrolidin-1-yl)-N-[9-(1-ethoxyethoxy)-6-oxononyl]propanamide?
3-(2,5-dioxo-3-phosphanylpyrrolidin-1-yl)-N-[9-(1-ethoxyethoxy)-6-oxononyl]propanamide has a molecular weight of 430.48 g/mol, XLogP of 1.80, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxo-3-phosphanylpyrrolidin-1-yl)-N-[9-(1-ethoxyethoxy)-6-oxononyl]propanamide is sourced from PubChem (CID 164986885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).