tert-butyl N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]carbamate

C15H24N2O6 — CID 44598272

IUPACtert-butyl N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C15H24N2O6/c1-15(2,3)23-14(20)16-6-8-21-10-11-22-9-7-17-12(18)4-5-13(17)19/h4-5H,6-11H2,1-3H3,(H,16,20)
InChIKeyANPNLGYUZZQPEV-UHFFFAOYSA-N
MW328.37 g/mol
LogP0.47
Rot. Bonds9

About tert-butyl N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]carbamate

tert-butyl N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]carbamate (PubChem CID 44598272) has the molecular formula C15H24N2O6 and a molecular weight of 328.37 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]carbamate
PubChem CID44598272
Molecular FormulaC15H24N2O6
Molecular Weight328.37 g/mol
Exact Mass328.16
IUPAC Nametert-butyl N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C15H24N2O6/c1-15(2,3)23-14(20)16-6-8-21-10-11-22-9-7-17-12(18)4-5-13(17)19/h4-5H,6-11H2,1-3H3,(H,16,20)
InChIKeyANPNLGYUZZQPEV-UHFFFAOYSA-N
XLogP0.47
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

1-(2-(2-(2-Aminoethoxy)ethoxy)ethyl)-1H-pyrrole-2,5-dione
CID 22377694
Propanoic acid, 3-[2-[2-[[3-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxopropyl]amino]ethoxy]ethoxy]-, 1,1-dimethylethyl ester
CID 134839772
2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethyl N-methylcarbamate
CID 176433411
ethyl 2-[[(Z)-4-(ethoxycarbonylamino)-4-oxobut-2-enoyl]amino]acetate
CID 5358578
N-Boc-2-Maleimidoethylamine
CID 4176840
tert-butyl N-[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethoxy]carbamate
CID 53250843
2-(2,5-dioxopyrrol-1-yl)ethyl N-propan-2-ylcarbamate
CID 53658592
tert-Butyl (2-(2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethoxy)ethyl)carbamate
CID 54003304
2-(2,5-dioxopyrrol-1-yl)ethyl N-butylcarbamate
CID 57736028
butyl N-[2-[2-[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]carbamate
CID 58331220
2-(2,5-dioxopyrrol-1-yl)ethyl N-methylcarbamate
CID 59459669
1-(4-N-Boc-aminobutyl)-1H-pyrrole-2,5-dione
CID 59709139

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]carbamate (CID 44598272) is tert-butyl N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]carbamate is CC(C)(C)OC(=O)NCCOCCOCCN1C(=O)C=CC1=O.
What is the InChIKey of tert-butyl N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]carbamate?
The InChIKey is ANPNLGYUZZQPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O6/c1-15(2,3)23-14(20)16-6-8-21-10-11-22-9-7-17-12(18)4-5-13(17)19/h4-5H,6-11H2,1-3H3,(H,16,20).
What are the key properties of tert-butyl N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]carbamate?
tert-butyl N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 328.37 g/mol, XLogP of 0.47, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 44598272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).