2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]propanamide

C18H20N4O6 — CID 175271647

IUPAC2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]propanamide
SMILESCC(OCCNc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O)C(N)=O
InChIInChI=1S/C18H20N4O6/c1-9(15(19)24)28-7-6-20-10-2-3-11-12(8-10)18(27)22(17(11)26)13-4-5-14(23)21-16(13)25/h2-3,8-9,13,20H,4-7H2,1H3,(H2,19,24)(H,21,23,25)
InChIKeyFAKMAPWQGMTSKN-UHFFFAOYSA-N
MW388.38 g/mol
LogP-0.61
Rot. Bonds7

About 2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]propanamide

2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]propanamide (PubChem CID 175271647) has the molecular formula C18H20N4O6 and a molecular weight of 388.38 g/mol. Its IUPAC name is 2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]propanamide.

Molecular Properties

Compound Name2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]propanamide
PubChem CID175271647
Molecular FormulaC18H20N4O6
Molecular Weight388.38 g/mol
Exact Mass388.14
IUPAC Name2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]propanamide
SMILESCC(OCCNc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O)C(N)=O
InChIInChI=1S/C18H20N4O6/c1-9(15(19)24)28-7-6-20-10-2-3-11-12(8-10)18(27)22(17(11)26)13-4-5-14(23)21-16(13)25/h2-3,8-9,13,20H,4-7H2,1H3,(H2,19,24)(H,21,23,25)
InChIKeyFAKMAPWQGMTSKN-UHFFFAOYSA-N
XLogP-0.61
TPSA147.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
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-(2,6-dioxopiperidin-3-yl)-5-[2-(2-propoxyethoxy)ethylamino]isoindole-1,3-dione
CID 155177661
10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]decyl carbamate
CID 175555570
5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]pentyl carbamate
CID 175555564
7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]heptanamide
CID 175446333
2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]acetic acid
CID 171566931
2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethylamino]isoindole-1,3-dione
CID 139402582
5-(3-aminopropylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 150134441
methyl 9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]nonanoate
CID 163374317
5-(9-aminononylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 162482502
5-(14-aminotetradecylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 169450048
5-(5-aminopentylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 138562610
tert-butyl N-[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]carbamate
CID 142367921

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]propanamide?
The IUPAC name of 2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]propanamide (CID 175271647) is 2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]propanamide.
What is the SMILES notation for 2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]propanamide?
The canonical SMILES for 2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]propanamide is CC(OCCNc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O)C(N)=O.
What is the InChIKey of 2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]propanamide?
The InChIKey is FAKMAPWQGMTSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O6/c1-9(15(19)24)28-7-6-20-10-2-3-11-12(8-10)18(27)22(17(11)26)13-4-5-14(23)21-16(13)25/h2-3,8-9,13,20H,4-7H2,1H3,(H2,19,24)(H,21,23,25).
What are the key properties of 2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]propanamide?
2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]propanamide has a molecular weight of 388.38 g/mol, XLogP of -0.61, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]propanamide is sourced from PubChem (CID 175271647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).