(2-amino-2-oxoethyl) N-oct-7-enylcarbamate

C11H20N2O3 — CID 11960464

IUPAC(2-amino-2-oxoethyl) N-oct-7-enylcarbamate
SMILESC=CCCCCCCNC(=O)OCC(N)=O
InChIInChI=1S/C11H20N2O3/c1-2-3-4-5-6-7-8-13-11(15)16-9-10(12)14/h2H,1,3-9H2,(H2,12,14)(H,13,15)
InChIKeyDLDOQIUSBOEGIQ-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.33
Rot. Bonds9

About (2-amino-2-oxoethyl) N-oct-7-enylcarbamate

(2-amino-2-oxoethyl) N-oct-7-enylcarbamate (PubChem CID 11960464) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) N-oct-7-enylcarbamate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) N-oct-7-enylcarbamate
PubChem CID11960464
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(2-amino-2-oxoethyl) N-oct-7-enylcarbamate
SMILESC=CCCCCCCNC(=O)OCC(N)=O
InChIInChI=1S/C11H20N2O3/c1-2-3-4-5-6-7-8-13-11(15)16-9-10(12)14/h2H,1,3-9H2,(H2,12,14)(H,13,15)
InChIKeyDLDOQIUSBOEGIQ-UHFFFAOYSA-N
XLogP1.33
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.33
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-amino-2-oxoethyl) N-oct-7-enylcarbamate?
The IUPAC name of (2-amino-2-oxoethyl) N-oct-7-enylcarbamate (CID 11960464) is (2-amino-2-oxoethyl) N-oct-7-enylcarbamate.
What is the SMILES notation for (2-amino-2-oxoethyl) N-oct-7-enylcarbamate?
The canonical SMILES for (2-amino-2-oxoethyl) N-oct-7-enylcarbamate is C=CCCCCCCNC(=O)OCC(N)=O.
What is the InChIKey of (2-amino-2-oxoethyl) N-oct-7-enylcarbamate?
The InChIKey is DLDOQIUSBOEGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-2-3-4-5-6-7-8-13-11(15)16-9-10(12)14/h2H,1,3-9H2,(H2,12,14)(H,13,15).
What are the key properties of (2-amino-2-oxoethyl) N-oct-7-enylcarbamate?
(2-amino-2-oxoethyl) N-oct-7-enylcarbamate has a molecular weight of 228.29 g/mol, XLogP of 1.33, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) N-oct-7-enylcarbamate is sourced from PubChem (CID 11960464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).