[2-(methylamino)-2-oxoethyl] N-oct-7-enylcarbamate

C12H22N2O3 — CID 11960465

IUPAC[2-(methylamino)-2-oxoethyl] N-oct-7-enylcarbamate
SMILESC=CCCCCCCNC(=O)OCC(=O)NC
InChIInChI=1S/C12H22N2O3/c1-3-4-5-6-7-8-9-14-12(16)17-10-11(15)13-2/h3H,1,4-10H2,2H3,(H,13,15)(H,14,16)
InChIKeyCMWZMUWQJYHLPU-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.60
Rot. Bonds9

About [2-(methylamino)-2-oxoethyl] N-oct-7-enylcarbamate

[2-(methylamino)-2-oxoethyl] N-oct-7-enylcarbamate (PubChem CID 11960465) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] N-oct-7-enylcarbamate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] N-oct-7-enylcarbamate
PubChem CID11960465
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name[2-(methylamino)-2-oxoethyl] N-oct-7-enylcarbamate
SMILESC=CCCCCCCNC(=O)OCC(=O)NC
InChIInChI=1S/C12H22N2O3/c1-3-4-5-6-7-8-9-14-12(16)17-10-11(15)13-2/h3H,1,4-10H2,2H3,(H,13,15)(H,14,16)
InChIKeyCMWZMUWQJYHLPU-UHFFFAOYSA-N
XLogP1.60
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] N-oct-7-enylcarbamate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] N-oct-7-enylcarbamate (CID 11960465) is [2-(methylamino)-2-oxoethyl] N-oct-7-enylcarbamate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] N-oct-7-enylcarbamate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] N-oct-7-enylcarbamate is C=CCCCCCCNC(=O)OCC(=O)NC.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] N-oct-7-enylcarbamate?
The InChIKey is CMWZMUWQJYHLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-4-5-6-7-8-9-14-12(16)17-10-11(15)13-2/h3H,1,4-10H2,2H3,(H,13,15)(H,14,16).
What are the key properties of [2-(methylamino)-2-oxoethyl] N-oct-7-enylcarbamate?
[2-(methylamino)-2-oxoethyl] N-oct-7-enylcarbamate has a molecular weight of 242.32 g/mol, XLogP of 1.60, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] N-oct-7-enylcarbamate is sourced from PubChem (CID 11960465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).