1-[2-(2-aminoethoxy)ethoxy]ethyl N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]carbamate

C20H26N4O7 — CID 170431760

IUPAC1-[2-(2-aminoethoxy)ethoxy]ethyl N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]carbamate
SMILESCC(OCCOCCN)OC(=O)Nc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C20H26N4O7/c1-12(30-9-8-29-7-6-21)31-20(28)22-14-2-3-15-13(10-14)11-24(19(15)27)16-4-5-17(25)23-18(16)26/h2-3,10,12,16H,4-9,11,21H2,1H3,(H,22,28)(H,23,25,26)
InChIKeyZTRGSQMCVYDYIC-UHFFFAOYSA-N
MW434.45 g/mol
LogP0.33
Rot. Bonds9

About 1-[2-(2-aminoethoxy)ethoxy]ethyl N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]carbamate

1-[2-(2-aminoethoxy)ethoxy]ethyl N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]carbamate (PubChem CID 170431760) has the molecular formula C20H26N4O7 and a molecular weight of 434.45 g/mol. Its IUPAC name is 1-[2-(2-aminoethoxy)ethoxy]ethyl N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]carbamate.

Molecular Properties

Compound Name1-[2-(2-aminoethoxy)ethoxy]ethyl N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]carbamate
PubChem CID170431760
Molecular FormulaC20H26N4O7
Molecular Weight434.45 g/mol
Exact Mass434.18
IUPAC Name1-[2-(2-aminoethoxy)ethoxy]ethyl N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]carbamate
SMILESCC(OCCOCCN)OC(=O)Nc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C20H26N4O7/c1-12(30-9-8-29-7-6-21)31-20(28)22-14-2-3-15-13(10-14)11-24(19(15)27)16-4-5-17(25)23-18(16)26/h2-3,10,12,16H,4-9,11,21H2,1H3,(H,22,28)(H,23,25,26)
InChIKeyZTRGSQMCVYDYIC-UHFFFAOYSA-N
XLogP0.33
TPSA149.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,2-dimethylpropanamide
CID 176614145
3-[6-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 168899316
5-[4-[2-(2-aminoethoxy)ethyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pyrimidine-2-carboxamide;hydrochloride
CID 172897850
2-[2-(2-aminoethoxy)ethoxy]ethyl-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]carbamic acid
CID 138695755
3-[6-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]prop-1-ynyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 165369374
2-(4-aminocyclohexyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]acetamide
CID 175806262
tert-butyl N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]ethyl]carbamate
CID 134580304
1-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]ethyl]-3-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]phenyl]urea
CID 156528211
1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]carbamoyl]-1,3,3-trimethylurea
CID 166426847
3-[6-[4-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171514857
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-methylpropane-1-sulfonamide
CID 167779417
1-[2-(4-chlorophenyl)-1-hydroxypropan-2-yl]-3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]urea
CID 176565071

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethoxy)ethoxy]ethyl N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]carbamate?
The IUPAC name of 1-[2-(2-aminoethoxy)ethoxy]ethyl N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]carbamate (CID 170431760) is 1-[2-(2-aminoethoxy)ethoxy]ethyl N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]carbamate.
What is the SMILES notation for 1-[2-(2-aminoethoxy)ethoxy]ethyl N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]carbamate?
The canonical SMILES for 1-[2-(2-aminoethoxy)ethoxy]ethyl N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]carbamate is CC(OCCOCCN)OC(=O)Nc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 1-[2-(2-aminoethoxy)ethoxy]ethyl N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]carbamate?
The InChIKey is ZTRGSQMCVYDYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O7/c1-12(30-9-8-29-7-6-21)31-20(28)22-14-2-3-15-13(10-14)11-24(19(15)27)16-4-5-17(25)23-18(16)26/h2-3,10,12,16H,4-9,11,21H2,1H3,(H,22,28)(H,23,25,26).
What are the key properties of 1-[2-(2-aminoethoxy)ethoxy]ethyl N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]carbamate?
1-[2-(2-aminoethoxy)ethoxy]ethyl N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]carbamate has a molecular weight of 434.45 g/mol, XLogP of 0.33, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethoxy)ethoxy]ethyl N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]carbamate is sourced from PubChem (CID 170431760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).