N-butyl-2-ethoxyacetamide;(2,5-dioxopyrrolidin-1-yl) 2-ethoxyacetate

C16H28N2O7 — CID 162199414

IUPACN-butyl-2-ethoxyacetamide;(2,5-dioxopyrrolidin-1-yl) 2-ethoxyacetate
SMILESCCCCNC(=O)COCC.CCOCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C8H11NO5.C8H17NO2/c1-2-13-5-8(12)14-9-6(10)3-4-7(9)11;1-3-5-6-9-8(10)7-11-4-2/h2-5H2,1H3;3-7H2,1-2H3,(H,9,10)
InChIKeyZRJNPTWZZQIQQQ-UHFFFAOYSA-N
MW360.41 g/mol
LogP0.57
Rot. Bonds10

About N-butyl-2-ethoxyacetamide;(2,5-dioxopyrrolidin-1-yl) 2-ethoxyacetate

N-butyl-2-ethoxyacetamide;(2,5-dioxopyrrolidin-1-yl) 2-ethoxyacetate (PubChem CID 162199414) has the molecular formula C16H28N2O7 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-butyl-2-ethoxyacetamide;(2,5-dioxopyrrolidin-1-yl) 2-ethoxyacetate.

Molecular Properties

Compound NameN-butyl-2-ethoxyacetamide;(2,5-dioxopyrrolidin-1-yl) 2-ethoxyacetate
PubChem CID162199414
Molecular FormulaC16H28N2O7
Molecular Weight360.41 g/mol
Exact Mass360.19
IUPAC NameN-butyl-2-ethoxyacetamide;(2,5-dioxopyrrolidin-1-yl) 2-ethoxyacetate
SMILESCCCCNC(=O)COCC.CCOCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C8H11NO5.C8H17NO2/c1-2-13-5-8(12)14-9-6(10)3-4-7(9)11;1-3-5-6-9-8(10)7-11-4-2/h2-5H2,1H3;3-7H2,1-2H3,(H,9,10)
InChIKeyZRJNPTWZZQIQQQ-UHFFFAOYSA-N
XLogP0.57
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]acetyl]amino]ethylamino]-2-oxoethoxy]acetate
CID 11092123
(2,5-dioxopyrrolidin-1-yl) 2-[2-(5-methylhexylamino)-2-oxoethoxy]acetate
CID 88864820
(2,5-dioxopyrrolidin-1-yl) 2-(ethoxymethoxy)acetate
CID 159218851
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetate
CID 59616514
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[4-(2,5-dioxopyrrol-1-yl)butylamino]-2-oxoethoxy]ethoxy]acetate
CID 59709155
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[[2-[2-(4-oxopentoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetate
CID 157314738
(2,5-dioxopyrrolidin-1-yl) 3-oxo-3-(propylamino)propanoate
CID 121327288
(2S)-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-5-oxo-2-(propanoylamino)pentanoic acid
CID 88903522
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 129271799
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 57369360
bis[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethyl] propanedioate
CID 153431412
(2-hydroxy-5-oxopyrrolidin-1-yl) 8-[[2-[2-[2-[2-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]octanoate
CID 129183103

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-ethoxyacetamide;(2,5-dioxopyrrolidin-1-yl) 2-ethoxyacetate?
The IUPAC name of N-butyl-2-ethoxyacetamide;(2,5-dioxopyrrolidin-1-yl) 2-ethoxyacetate (CID 162199414) is N-butyl-2-ethoxyacetamide;(2,5-dioxopyrrolidin-1-yl) 2-ethoxyacetate.
What is the SMILES notation for N-butyl-2-ethoxyacetamide;(2,5-dioxopyrrolidin-1-yl) 2-ethoxyacetate?
The canonical SMILES for N-butyl-2-ethoxyacetamide;(2,5-dioxopyrrolidin-1-yl) 2-ethoxyacetate is CCCCNC(=O)COCC.CCOCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of N-butyl-2-ethoxyacetamide;(2,5-dioxopyrrolidin-1-yl) 2-ethoxyacetate?
The InChIKey is ZRJNPTWZZQIQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO5.C8H17NO2/c1-2-13-5-8(12)14-9-6(10)3-4-7(9)11;1-3-5-6-9-8(10)7-11-4-2/h2-5H2,1H3;3-7H2,1-2H3,(H,9,10).
What are the key properties of N-butyl-2-ethoxyacetamide;(2,5-dioxopyrrolidin-1-yl) 2-ethoxyacetate?
N-butyl-2-ethoxyacetamide;(2,5-dioxopyrrolidin-1-yl) 2-ethoxyacetate has a molecular weight of 360.41 g/mol, XLogP of 0.57, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-ethoxyacetamide;(2,5-dioxopyrrolidin-1-yl) 2-ethoxyacetate is sourced from PubChem (CID 162199414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).