(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-(cyclohexylmethylamino)-2-oxoethoxy]ethyl]cyclopropen-1-yl]ethoxy]acetate

C22H32N2O7 — CID 175632702

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-(cyclohexylmethylamino)-2-oxoethoxy]ethyl]cyclopropen-1-yl]ethoxy]acetate
SMILESO=C(COCCC1=C(CCOCC(=O)ON2C(=O)CCC2=O)C1)NCC1CCCCC1
InChIInChI=1S/C22H32N2O7/c25-19(23-13-16-4-2-1-3-5-16)14-29-10-8-17-12-18(17)9-11-30-15-22(28)31-24-20(26)6-7-21(24)27/h16H,1-15H2,(H,23,25)
InChIKeyXPBBDKXYEOUNSP-UHFFFAOYSA-N
MW436.51 g/mol
LogP1.80
Rot. Bonds13

About (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-(cyclohexylmethylamino)-2-oxoethoxy]ethyl]cyclopropen-1-yl]ethoxy]acetate

(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-(cyclohexylmethylamino)-2-oxoethoxy]ethyl]cyclopropen-1-yl]ethoxy]acetate (PubChem CID 175632702) has the molecular formula C22H32N2O7 and a molecular weight of 436.51 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-(cyclohexylmethylamino)-2-oxoethoxy]ethyl]cyclopropen-1-yl]ethoxy]acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-(cyclohexylmethylamino)-2-oxoethoxy]ethyl]cyclopropen-1-yl]ethoxy]acetate
PubChem CID175632702
Molecular FormulaC22H32N2O7
Molecular Weight436.51 g/mol
Exact Mass436.22
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-(cyclohexylmethylamino)-2-oxoethoxy]ethyl]cyclopropen-1-yl]ethoxy]acetate
SMILESO=C(COCCC1=C(CCOCC(=O)ON2C(=O)CCC2=O)C1)NCC1CCCCC1
InChIInChI=1S/C22H32N2O7/c25-19(23-13-16-4-2-1-3-5-16)14-29-10-8-17-12-18(17)9-11-30-15-22(28)31-24-20(26)6-7-21(24)27/h16H,1-15H2,(H,23,25)
InChIKeyXPBBDKXYEOUNSP-UHFFFAOYSA-N
XLogP1.80
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-[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
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[[2-[2-(4-oxopentoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetate
CID 157314738
bis[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethyl] propanedioate
CID 153431412
[2-(cyclohexylmethylamino)-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)propanoate
CID 55427385
(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) 3-[2-(3-cyclodecylpropoxy)ethoxy]propanoate
CID 138457388
(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
(2,5-dioxopyrrolidin-1-yl) 2-[2-(2-bromoacetyl)oxyethoxy]acetate
CID 162642529
(2,5-dioxopyrrolidin-1-yl) 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 71356458
3-[3-(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)-2-[[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]acetyl]amino]propoxy]propanoic acid
CID 169281454
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[4-(2,5-dioxopyrrol-1-yl)butylamino]-2-oxoethoxy]ethoxy]acetate
CID 59709155

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-(cyclohexylmethylamino)-2-oxoethoxy]ethyl]cyclopropen-1-yl]ethoxy]acetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-(cyclohexylmethylamino)-2-oxoethoxy]ethyl]cyclopropen-1-yl]ethoxy]acetate (CID 175632702) is (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-(cyclohexylmethylamino)-2-oxoethoxy]ethyl]cyclopropen-1-yl]ethoxy]acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-(cyclohexylmethylamino)-2-oxoethoxy]ethyl]cyclopropen-1-yl]ethoxy]acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-(cyclohexylmethylamino)-2-oxoethoxy]ethyl]cyclopropen-1-yl]ethoxy]acetate is O=C(COCCC1=C(CCOCC(=O)ON2C(=O)CCC2=O)C1)NCC1CCCCC1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-(cyclohexylmethylamino)-2-oxoethoxy]ethyl]cyclopropen-1-yl]ethoxy]acetate?
The InChIKey is XPBBDKXYEOUNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O7/c25-19(23-13-16-4-2-1-3-5-16)14-29-10-8-17-12-18(17)9-11-30-15-22(28)31-24-20(26)6-7-21(24)27/h16H,1-15H2,(H,23,25).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-(cyclohexylmethylamino)-2-oxoethoxy]ethyl]cyclopropen-1-yl]ethoxy]acetate?
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-(cyclohexylmethylamino)-2-oxoethoxy]ethyl]cyclopropen-1-yl]ethoxy]acetate has a molecular weight of 436.51 g/mol, XLogP of 1.80, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-(cyclohexylmethylamino)-2-oxoethoxy]ethyl]cyclopropen-1-yl]ethoxy]acetate is sourced from PubChem (CID 175632702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).