ethyl N-(1-ethoxyethyl)carbamate

C7H15NO3 — CID 15577788

IUPACethyl N-(1-ethoxyethyl)carbamate
SMILESCCOC(=O)NC(C)OCC
InChIInChI=1S/C7H15NO3/c1-4-10-6(3)8-7(9)11-5-2/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyHKTAJTSNGPEHLY-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.12
Rot. Bonds4

About ethyl N-(1-ethoxyethyl)carbamate

ethyl N-(1-ethoxyethyl)carbamate (PubChem CID 15577788) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is ethyl N-(1-ethoxyethyl)carbamate.

Molecular Properties

Compound Nameethyl N-(1-ethoxyethyl)carbamate
PubChem CID15577788
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Nameethyl N-(1-ethoxyethyl)carbamate
SMILESCCOC(=O)NC(C)OCC
InChIInChI=1S/C7H15NO3/c1-4-10-6(3)8-7(9)11-5-2/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyHKTAJTSNGPEHLY-UHFFFAOYSA-N
XLogP1.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze ethyl N-(1-ethoxyethyl)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 ethyl N-(1-ethoxyethyl)carbamate?
The IUPAC name of ethyl N-(1-ethoxyethyl)carbamate (CID 15577788) is ethyl N-(1-ethoxyethyl)carbamate.
What is the SMILES notation for ethyl N-(1-ethoxyethyl)carbamate?
The canonical SMILES for ethyl N-(1-ethoxyethyl)carbamate is CCOC(=O)NC(C)OCC.
What is the InChIKey of ethyl N-(1-ethoxyethyl)carbamate?
The InChIKey is HKTAJTSNGPEHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-4-10-6(3)8-7(9)11-5-2/h6H,4-5H2,1-3H3,(H,8,9).
What are the key properties of ethyl N-(1-ethoxyethyl)carbamate?
ethyl N-(1-ethoxyethyl)carbamate has a molecular weight of 161.20 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1-ethoxyethyl)carbamate is sourced from PubChem (CID 15577788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).