2-[4-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]-1,3-dioxoisoindol-2-yl]-5-oxopentanamide

C22H29N3O9 — CID 135143965

IUPAC2-[4-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]-1,3-dioxoisoindol-2-yl]-5-oxopentanamide
SMILESCOCC(=O)NCCOCCOCCOc1cccc2c1C(=O)N(C(CCC=O)C(N)=O)C2=O
InChIInChI=1S/C22H29N3O9/c1-31-14-18(27)24-7-9-32-10-11-33-12-13-34-17-6-2-4-15-19(17)22(30)25(21(15)29)16(20(23)28)5-3-8-26/h2,4,6,8,16H,3,5,7,9-14H2,1H3,(H2,23,28)(H,24,27)
InChIKeyJTJTXVXIMGLUSF-UHFFFAOYSA-N
MW479.49 g/mol
LogP-0.71
Rot. Bonds17

About 2-[4-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]-1,3-dioxoisoindol-2-yl]-5-oxopentanamide

2-[4-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]-1,3-dioxoisoindol-2-yl]-5-oxopentanamide (PubChem CID 135143965) has the molecular formula C22H29N3O9 and a molecular weight of 479.49 g/mol. Its IUPAC name is 2-[4-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]-1,3-dioxoisoindol-2-yl]-5-oxopentanamide.

Molecular Properties

Compound Name2-[4-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]-1,3-dioxoisoindol-2-yl]-5-oxopentanamide
PubChem CID135143965
Molecular FormulaC22H29N3O9
Molecular Weight479.49 g/mol
Exact Mass479.19
IUPAC Name2-[4-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]-1,3-dioxoisoindol-2-yl]-5-oxopentanamide
SMILESCOCC(=O)NCCOCCOCCOc1cccc2c1C(=O)N(C(CCC=O)C(N)=O)C2=O
InChIInChI=1S/C22H29N3O9/c1-31-14-18(27)24-7-9-32-10-11-33-12-13-34-17-6-2-4-15-19(17)22(30)25(21(15)29)16(20(23)28)5-3-8-26/h2,4,6,8,16H,3,5,7,9-14H2,1H3,(H2,23,28)(H,24,27)
InChIKeyJTJTXVXIMGLUSF-UHFFFAOYSA-N
XLogP-0.71
TPSA163.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.49
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[4-[(2-hydroxyacetyl)amino]butoxy]-1,3-dioxoisoindol-2-yl]-5-oxopentanamide
CID 156542314
2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]-1,3-dioxoisoindol-2-yl]-N-methyl-5-oxopentanamide
CID 178004588
N'-[3-[[2-[2-(1-amino-1,5-dioxopentan-2-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propyl]-N-methylbutanediamide
CID 167048864
N-[2-(1-amino-1,5-dioxopentan-2-yl)-1,3-dioxoisoindol-4-yl]-6-[2-(6-chlorohexoxy)ethoxy]hexanamide
CID 170061434
4-[1,3-dioxo-4-[2-oxo-2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethylamino]ethoxy]isoindol-2-yl]-N-methyl-5-oxopentanamide;formaldehyde
CID 145256247
4-[1,3-dioxo-4-[2-oxo-2-(10-oxodecylamino)ethoxy]isoindol-2-yl]-N-formylpentanamide
CID 155057033
8-[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-1,3-dioxoisoindol-4-yl]oxyoctanoic acid;2-methylpropane
CID 171566867
2-[1,3-dioxo-4-[2-(2-propoxyethoxy)ethylamino]isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 155484544
N-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]oxyethoxy]ethyl]-2-methoxyacetamide
CID 135144010
5-amino-4-[1,3-dioxo-4-(4-phenylmethoxybutoxy)isoindol-2-yl]-5-oxopentanoic acid
CID 175335672
N-[7-[3,5-dimethoxy-4-[[methyl-[2-[2-[2-[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-1,3-dioxoisoindol-4-yl]oxyethoxy]ethylamino]-2-oxoethyl]amino]methyl]phenyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]-1-methylpiperidine-4-carboxamide
CID 176672950
2-(1,3-dioxoisoindol-2-yl)-N-[2-[(2-methoxyacetyl)amino]ethyl]propanamide
CID 108540329

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]-1,3-dioxoisoindol-2-yl]-5-oxopentanamide?
The IUPAC name of 2-[4-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]-1,3-dioxoisoindol-2-yl]-5-oxopentanamide (CID 135143965) is 2-[4-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]-1,3-dioxoisoindol-2-yl]-5-oxopentanamide.
What is the SMILES notation for 2-[4-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]-1,3-dioxoisoindol-2-yl]-5-oxopentanamide?
The canonical SMILES for 2-[4-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]-1,3-dioxoisoindol-2-yl]-5-oxopentanamide is COCC(=O)NCCOCCOCCOc1cccc2c1C(=O)N(C(CCC=O)C(N)=O)C2=O.
What is the InChIKey of 2-[4-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]-1,3-dioxoisoindol-2-yl]-5-oxopentanamide?
The InChIKey is JTJTXVXIMGLUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O9/c1-31-14-18(27)24-7-9-32-10-11-33-12-13-34-17-6-2-4-15-19(17)22(30)25(21(15)29)16(20(23)28)5-3-8-26/h2,4,6,8,16H,3,5,7,9-14H2,1H3,(H2,23,28)(H,24,27).
What are the key properties of 2-[4-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]-1,3-dioxoisoindol-2-yl]-5-oxopentanamide?
2-[4-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]-1,3-dioxoisoindol-2-yl]-5-oxopentanamide has a molecular weight of 479.49 g/mol, XLogP of -0.71, 17 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]-1,3-dioxoisoindol-2-yl]-5-oxopentanamide is sourced from PubChem (CID 135143965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).