2-acetamidoethyl N-cyclohexylcarbamate

C11H20N2O3 — CID 123608032

IUPAC2-acetamidoethyl N-cyclohexylcarbamate
SMILESCC(=O)NCCOC(=O)NC1CCCCC1
InChIInChI=1S/C11H20N2O3/c1-9(14)12-7-8-16-11(15)13-10-5-3-2-4-6-10/h10H,2-8H2,1H3,(H,12,14)(H,13,15)
InChIKeyWEDYKPBDBYVPES-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.18
Rot. Bonds4

About 2-acetamidoethyl N-cyclohexylcarbamate

2-acetamidoethyl N-cyclohexylcarbamate (PubChem CID 123608032) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-acetamidoethyl N-cyclohexylcarbamate.

Molecular Properties

Compound Name2-acetamidoethyl N-cyclohexylcarbamate
PubChem CID123608032
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-acetamidoethyl N-cyclohexylcarbamate
SMILESCC(=O)NCCOC(=O)NC1CCCCC1
InChIInChI=1S/C11H20N2O3/c1-9(14)12-7-8-16-11(15)13-10-5-3-2-4-6-10/h10H,2-8H2,1H3,(H,12,14)(H,13,15)
InChIKeyWEDYKPBDBYVPES-UHFFFAOYSA-N
XLogP1.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-acetamidoethyl N-cyclohexylcarbamate?
The IUPAC name of 2-acetamidoethyl N-cyclohexylcarbamate (CID 123608032) is 2-acetamidoethyl N-cyclohexylcarbamate.
What is the SMILES notation for 2-acetamidoethyl N-cyclohexylcarbamate?
The canonical SMILES for 2-acetamidoethyl N-cyclohexylcarbamate is CC(=O)NCCOC(=O)NC1CCCCC1.
What is the InChIKey of 2-acetamidoethyl N-cyclohexylcarbamate?
The InChIKey is WEDYKPBDBYVPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-9(14)12-7-8-16-11(15)13-10-5-3-2-4-6-10/h10H,2-8H2,1H3,(H,12,14)(H,13,15).
What are the key properties of 2-acetamidoethyl N-cyclohexylcarbamate?
2-acetamidoethyl N-cyclohexylcarbamate has a molecular weight of 228.29 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidoethyl N-cyclohexylcarbamate is sourced from PubChem (CID 123608032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).