[(1S,2E)-cyclooct-2-en-1-yl] N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate

C17H32N2O5 — CID 169450345

IUPAC[(1S,2E)-cyclooct-2-en-1-yl] N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate
SMILESNCCOCCOCCOCCNC(=O)O[C@@H]1/C=C\CCCCC1
InChIInChI=1S/C17H32N2O5/c18-8-10-21-12-14-23-15-13-22-11-9-19-17(20)24-16-6-4-2-1-3-5-7-16/h4,6,16H,1-3,5,7-15,18H2,(H,19,20)/b6-4-/t16-/m1/s1
InChIKeyXVICSQMDNBTGBB-DQOPKJQZSA-N
MW344.45 g/mol
LogP1.61
Rot. Bonds12

About [(1S,2E)-cyclooct-2-en-1-yl] N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate

[(1S,2E)-cyclooct-2-en-1-yl] N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate (PubChem CID 169450345) has the molecular formula C17H32N2O5 and a molecular weight of 344.45 g/mol. Its IUPAC name is [(1S,2E)-cyclooct-2-en-1-yl] N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

Compound Name[(1S,2E)-cyclooct-2-en-1-yl] N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate
PubChem CID169450345
Molecular FormulaC17H32N2O5
Molecular Weight344.45 g/mol
Exact Mass344.23
IUPAC Name[(1S,2E)-cyclooct-2-en-1-yl] N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate
SMILESNCCOCCOCCOCCNC(=O)O[C@@H]1/C=C\CCCCC1
InChIInChI=1S/C17H32N2O5/c18-8-10-21-12-14-23-15-13-22-11-9-19-17(20)24-16-6-4-2-1-3-5-7-16/h4,6,16H,1-3,5,7-15,18H2,(H,19,20)/b6-4-/t16-/m1/s1
InChIKeyXVICSQMDNBTGBB-DQOPKJQZSA-N
XLogP1.61
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(1S,2E)-cyclooct-2-en-1-yl] N-[2-[2-[2-(2-aminoethoxy)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

Related Compounds

[(2E)-cyclooct-2-en-1-yl] N-butylcarbamate
CID 155745211
[(4Z)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 146026023
(2S)-2-amino-6-[[(1S,2E)-cyclooct-2-en-1-yl]oxycarbonylamino]hexanoic acid
CID 78582603
[(1S,2E,6S)-6-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]-6-methylcyclooct-2-en-1-yl] N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
CID 166005351
[(4E)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(4E)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 137334019
[(1S)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(1S)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 171318905
[(4E)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(4E)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 167312923
3-amino-6-[2-[2-[2-[2-[[(1S,2E)-cyclooct-2-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-5-methyl-7-oxo-8H-naphthalene-2-sulfonic acid
CID 162405437
2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-[2-[2-(methylamino)ethoxy]ethyl]acetamide
CID 156533034
[(2E)-cyclooct-2-en-1-yl] N-[(5R)-6-iodo-5-methyl-6-oxohexyl]carbamate
CID 90184299
[(1S)-cyclooct-4-en-1-yl] N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]carbamate
CID 171318907
[(2Z)-cyclonon-2-en-1-yl] ethyl carbonate
CID 10856794

Frequently Asked Questions

What is the IUPAC name of [(1S,2E)-cyclooct-2-en-1-yl] N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate?
The IUPAC name of [(1S,2E)-cyclooct-2-en-1-yl] N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate (CID 169450345) is [(1S,2E)-cyclooct-2-en-1-yl] N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate.
What is the SMILES notation for [(1S,2E)-cyclooct-2-en-1-yl] N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate?
The canonical SMILES for [(1S,2E)-cyclooct-2-en-1-yl] N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate is NCCOCCOCCOCCNC(=O)O[C@@H]1/C=C\CCCCC1.
What is the InChIKey of [(1S,2E)-cyclooct-2-en-1-yl] N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate?
The InChIKey is XVICSQMDNBTGBB-DQOPKJQZSA-N. The full InChI is InChI=1S/C17H32N2O5/c18-8-10-21-12-14-23-15-13-22-11-9-19-17(20)24-16-6-4-2-1-3-5-7-16/h4,6,16H,1-3,5,7-15,18H2,(H,19,20)/b6-4-/t16-/m1/s1.
What are the key properties of [(1S,2E)-cyclooct-2-en-1-yl] N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate?
[(1S,2E)-cyclooct-2-en-1-yl] N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 344.45 g/mol, XLogP of 1.61, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2E)-cyclooct-2-en-1-yl] N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 169450345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).