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

C21H35N3O9 — CID 130454200

IUPACtert-butyl N-[2-[2-[2-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCCOCCOCCOCCNC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C21H35N3O9/c1-21(2,3)33-20(28)23-7-9-30-11-13-32-15-14-31-12-10-29-8-6-22-17(25)16-24-18(26)4-5-19(24)27/h4-5H,6-16H2,1-3H3,(H,22,25)(H,23,28)
InChIKeyBVOZSFWYISRTNQ-UHFFFAOYSA-N
MW473.52 g/mol
LogP-0.38
Rot. Bonds17

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

tert-butyl N-[2-[2-[2-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate (PubChem CID 130454200) has the molecular formula C21H35N3O9 and a molecular weight of 473.52 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[2-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[2-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
PubChem CID130454200
Molecular FormulaC21H35N3O9
Molecular Weight473.52 g/mol
Exact Mass473.24
IUPAC Nametert-butyl N-[2-[2-[2-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCCOCCOCCOCCNC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C21H35N3O9/c1-21(2,3)33-20(28)23-7-9-30-11-13-32-15-14-31-12-10-29-8-6-22-17(25)16-24-18(26)4-5-19(24)27/h4-5H,6-16H2,1-3H3,(H,22,25)(H,23,28)
InChIKeyBVOZSFWYISRTNQ-UHFFFAOYSA-N
XLogP-0.38
TPSA141.73 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.52
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze tert-butyl N-[2-[2-[2-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[2-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[2-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate (CID 130454200) is tert-butyl N-[2-[2-[2-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[2-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[2-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate is CC(C)(C)OC(=O)NCCOCCOCCOCCOCCNC(=O)CN1C(=O)C=CC1=O.
What is the InChIKey of tert-butyl N-[2-[2-[2-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The InChIKey is BVOZSFWYISRTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O9/c1-21(2,3)33-20(28)23-7-9-30-11-13-32-15-14-31-12-10-29-8-6-22-17(25)16-24-18(26)4-5-19(24)27/h4-5H,6-16H2,1-3H3,(H,22,25)(H,23,28).
What are the key properties of tert-butyl N-[2-[2-[2-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
tert-butyl N-[2-[2-[2-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 473.52 g/mol, XLogP of -0.38, 17 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[2-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 130454200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).