tert-butyl N-[2-[2-[2-[2-[(1,3-dioxoisoindol-4-yl)amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate

C21H31N3O7 — CID 163291733

IUPACtert-butyl N-[2-[2-[2-[2-[(1,3-dioxoisoindol-4-yl)amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCCOCCOCCNc1cccc2c1C(=O)NC2=O
InChIInChI=1S/C21H31N3O7/c1-21(2,3)31-20(27)23-8-10-29-12-14-30-13-11-28-9-7-22-16-6-4-5-15-17(16)19(26)24-18(15)25/h4-6,22H,7-14H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyFGJYJOBNCFDKHM-UHFFFAOYSA-N
MW437.49 g/mol
LogP1.56
Rot. Bonds13

About tert-butyl N-[2-[2-[2-[2-[(1,3-dioxoisoindol-4-yl)amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate

tert-butyl N-[2-[2-[2-[2-[(1,3-dioxoisoindol-4-yl)amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate (PubChem CID 163291733) has the molecular formula C21H31N3O7 and a molecular weight of 437.49 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[2-[2-[(1,3-dioxoisoindol-4-yl)amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[2-[2-[(1,3-dioxoisoindol-4-yl)amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate
PubChem CID163291733
Molecular FormulaC21H31N3O7
Molecular Weight437.49 g/mol
Exact Mass437.22
IUPAC Nametert-butyl N-[2-[2-[2-[2-[(1,3-dioxoisoindol-4-yl)amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCCOCCOCCNc1cccc2c1C(=O)NC2=O
InChIInChI=1S/C21H31N3O7/c1-21(2,3)31-20(27)23-8-10-29-12-14-30-13-11-28-9-7-22-16-6-4-5-15-17(16)19(26)24-18(15)25/h4-6,22H,7-14H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyFGJYJOBNCFDKHM-UHFFFAOYSA-N
XLogP1.56
TPSA124.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 51.56
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[2-[2-[(1,3-dioxoisoindol-4-yl)amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[2-[2-[(1,3-dioxoisoindol-4-yl)amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate (CID 163291733) is tert-butyl N-[2-[2-[2-[2-[(1,3-dioxoisoindol-4-yl)amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[2-[2-[(1,3-dioxoisoindol-4-yl)amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[2-[2-[(1,3-dioxoisoindol-4-yl)amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate is CC(C)(C)OC(=O)NCCOCCOCCOCCNc1cccc2c1C(=O)NC2=O.
What is the InChIKey of tert-butyl N-[2-[2-[2-[2-[(1,3-dioxoisoindol-4-yl)amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The InChIKey is FGJYJOBNCFDKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O7/c1-21(2,3)31-20(27)23-8-10-29-12-14-30-13-11-28-9-7-22-16-6-4-5-15-17(16)19(26)24-18(15)25/h4-6,22H,7-14H2,1-3H3,(H,23,27)(H,24,25,26).
What are the key properties of tert-butyl N-[2-[2-[2-[2-[(1,3-dioxoisoindol-4-yl)amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
tert-butyl N-[2-[2-[2-[2-[(1,3-dioxoisoindol-4-yl)amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 437.49 g/mol, XLogP of 1.56, 13 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[2-[2-[(1,3-dioxoisoindol-4-yl)amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 163291733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).