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

C17H27N3O7 — CID 130454113

IUPACtert-butyl N-[2-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCCOCCNC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C17H27N3O7/c1-17(2,3)27-16(24)19-7-9-26-11-10-25-8-6-18-13(21)12-20-14(22)4-5-15(20)23/h4-5H,6-12H2,1-3H3,(H,18,21)(H,19,24)
InChIKeyYYYCNUVBAXVCOJ-UHFFFAOYSA-N
MW385.42 g/mol
LogP-0.41
Rot. Bonds11

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

tert-butyl N-[2-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]ethyl]carbamate (PubChem CID 130454113) has the molecular formula C17H27N3O7 and a molecular weight of 385.42 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]ethyl]carbamate
PubChem CID130454113
Molecular FormulaC17H27N3O7
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC Nametert-butyl N-[2-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCCOCCNC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C17H27N3O7/c1-17(2,3)27-16(24)19-7-9-26-11-10-25-8-6-18-13(21)12-20-14(22)4-5-15(20)23/h4-5H,6-12H2,1-3H3,(H,18,21)(H,19,24)
InChIKeyYYYCNUVBAXVCOJ-UHFFFAOYSA-N
XLogP-0.41
TPSA123.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(2,5-dioxopyrrol-1-yl)acetyl]amino]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-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]ethyl]carbamate (CID 130454113) is tert-butyl N-[2-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]ethyl]carbamate is CC(C)(C)OC(=O)NCCOCCOCCNC(=O)CN1C(=O)C=CC1=O.
What is the InChIKey of tert-butyl N-[2-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]ethyl]carbamate?
The InChIKey is YYYCNUVBAXVCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O7/c1-17(2,3)27-16(24)19-7-9-26-11-10-25-8-6-18-13(21)12-20-14(22)4-5-15(20)23/h4-5H,6-12H2,1-3H3,(H,18,21)(H,19,24).
What are the key properties of tert-butyl N-[2-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]ethyl]carbamate?
tert-butyl N-[2-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 385.42 g/mol, XLogP of -0.41, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 130454113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).