2-[2-(2,6-dioxopiperidin-3-yl)-1-oxophthalazin-5-yl]oxyethyl carbamate

C16H16N4O6 — CID 175430666

IUPAC2-[2-(2,6-dioxopiperidin-3-yl)-1-oxophthalazin-5-yl]oxyethyl carbamate
SMILESNC(=O)OCCOc1cccc2c(=O)n(C3CCC(=O)NC3=O)ncc12
InChIInChI=1S/C16H16N4O6/c17-16(24)26-7-6-25-12-3-1-2-9-10(12)8-18-20(15(9)23)11-4-5-13(21)19-14(11)22/h1-3,8,11H,4-7H2,(H2,17,24)(H,19,21,22)
InChIKeyJUWUFCBHWJFVCB-UHFFFAOYSA-N
MW360.33 g/mol
LogP-0.15
Rot. Bonds5

About 2-[2-(2,6-dioxopiperidin-3-yl)-1-oxophthalazin-5-yl]oxyethyl carbamate

2-[2-(2,6-dioxopiperidin-3-yl)-1-oxophthalazin-5-yl]oxyethyl carbamate (PubChem CID 175430666) has the molecular formula C16H16N4O6 and a molecular weight of 360.33 g/mol. Its IUPAC name is 2-[2-(2,6-dioxopiperidin-3-yl)-1-oxophthalazin-5-yl]oxyethyl carbamate.

Molecular Properties

Compound Name2-[2-(2,6-dioxopiperidin-3-yl)-1-oxophthalazin-5-yl]oxyethyl carbamate
PubChem CID175430666
Molecular FormulaC16H16N4O6
Molecular Weight360.33 g/mol
Exact Mass360.11
IUPAC Name2-[2-(2,6-dioxopiperidin-3-yl)-1-oxophthalazin-5-yl]oxyethyl carbamate
SMILESNC(=O)OCCOc1cccc2c(=O)n(C3CCC(=O)NC3=O)ncc12
InChIInChI=1S/C16H16N4O6/c17-16(24)26-7-6-25-12-3-1-2-9-10(12)8-18-20(15(9)23)11-4-5-13(21)19-14(11)22/h1-3,8,11H,4-7H2,(H2,17,24)(H,19,21,22)
InChIKeyJUWUFCBHWJFVCB-UHFFFAOYSA-N
XLogP-0.15
TPSA142.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.33
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

3-[5-[2-[2-[2-(3-aminophenoxy)ethoxy]ethoxy]ethylamino]-1-oxophthalazin-2-yl]piperidine-2,6-dione
CID 169054185
3-[7-(hydroxymethyl)-1-oxophthalazin-2-yl]piperidine-2,6-dione
CID 172555183
tert-butyl N-[3-[2-[2-[2-[[3-(2,6-dioxopiperidin-3-yl)-4-oxophthalazin-6-yl]amino]ethoxy]ethoxy]ethoxy]phenyl]carbamate
CID 166142025
3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl carbamate
CID 175077402
3-[8-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethylamino]-1-oxophthalazin-2-yl]piperidine-2,6-dione
CID 166141933
1-[2-[[3-(2,6-dioxopiperidin-3-yl)-4-oxophthalazin-5-yl]amino]ethoxy]ethyl N-tert-butylcarbamate
CID 175430674
4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl carbamate
CID 175445106
3-[8-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethylamino]-1-oxophthalazin-2-yl]piperidine-2,6-dione;hydrochloride
CID 166141932
3-(1-oxophthalazin-2-yl)pyrrolidine-2,5-dione
CID 178180661
3-[8-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylamino]-1-oxophthalazin-2-yl]piperidine-2,6-dione
CID 170209294
5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl carbamate
CID 175555620
3-[8-[2-[2-[2-(3-aminophenoxy)ethoxy]ethoxy]ethylamino]-1-oxophthalazin-2-yl]piperidine-2,6-dione
CID 166142060

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dioxopiperidin-3-yl)-1-oxophthalazin-5-yl]oxyethyl carbamate?
The IUPAC name of 2-[2-(2,6-dioxopiperidin-3-yl)-1-oxophthalazin-5-yl]oxyethyl carbamate (CID 175430666) is 2-[2-(2,6-dioxopiperidin-3-yl)-1-oxophthalazin-5-yl]oxyethyl carbamate.
What is the SMILES notation for 2-[2-(2,6-dioxopiperidin-3-yl)-1-oxophthalazin-5-yl]oxyethyl carbamate?
The canonical SMILES for 2-[2-(2,6-dioxopiperidin-3-yl)-1-oxophthalazin-5-yl]oxyethyl carbamate is NC(=O)OCCOc1cccc2c(=O)n(C3CCC(=O)NC3=O)ncc12.
What is the InChIKey of 2-[2-(2,6-dioxopiperidin-3-yl)-1-oxophthalazin-5-yl]oxyethyl carbamate?
The InChIKey is JUWUFCBHWJFVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O6/c17-16(24)26-7-6-25-12-3-1-2-9-10(12)8-18-20(15(9)23)11-4-5-13(21)19-14(11)22/h1-3,8,11H,4-7H2,(H2,17,24)(H,19,21,22).
What are the key properties of 2-[2-(2,6-dioxopiperidin-3-yl)-1-oxophthalazin-5-yl]oxyethyl carbamate?
2-[2-(2,6-dioxopiperidin-3-yl)-1-oxophthalazin-5-yl]oxyethyl carbamate has a molecular weight of 360.33 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dioxopiperidin-3-yl)-1-oxophthalazin-5-yl]oxyethyl carbamate is sourced from PubChem (CID 175430666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).