dimethylamino N-ethoxy-N-ethylcarbamate

C7H16N2O3 — CID 174467424

IUPACdimethylamino N-ethoxy-N-ethylcarbamate
SMILESCCON(CC)C(=O)ON(C)C
InChIInChI=1S/C7H16N2O3/c1-5-9(11-6-2)7(10)12-8(3)4/h5-6H2,1-4H3
InChIKeyWLEJLHWDARMGCZ-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.87
Rot. Bonds4

About dimethylamino N-ethoxy-N-ethylcarbamate

dimethylamino N-ethoxy-N-ethylcarbamate (PubChem CID 174467424) has the molecular formula C7H16N2O3 and a molecular weight of 176.22 g/mol. Its IUPAC name is dimethylamino N-ethoxy-N-ethylcarbamate.

Molecular Properties

Compound Namedimethylamino N-ethoxy-N-ethylcarbamate
PubChem CID174467424
Molecular FormulaC7H16N2O3
Molecular Weight176.22 g/mol
Exact Mass176.12
IUPAC Namedimethylamino N-ethoxy-N-ethylcarbamate
SMILESCCON(CC)C(=O)ON(C)C
InChIInChI=1S/C7H16N2O3/c1-5-9(11-6-2)7(10)12-8(3)4/h5-6H2,1-4H3
InChIKeyWLEJLHWDARMGCZ-UHFFFAOYSA-N
XLogP0.87
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze dimethylamino N-ethoxy-N-ethylcarbamate 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 dimethylamino N-ethoxy-N-ethylcarbamate?
The IUPAC name of dimethylamino N-ethoxy-N-ethylcarbamate (CID 174467424) is dimethylamino N-ethoxy-N-ethylcarbamate.
What is the SMILES notation for dimethylamino N-ethoxy-N-ethylcarbamate?
The canonical SMILES for dimethylamino N-ethoxy-N-ethylcarbamate is CCON(CC)C(=O)ON(C)C.
What is the InChIKey of dimethylamino N-ethoxy-N-ethylcarbamate?
The InChIKey is WLEJLHWDARMGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3/c1-5-9(11-6-2)7(10)12-8(3)4/h5-6H2,1-4H3.
What are the key properties of dimethylamino N-ethoxy-N-ethylcarbamate?
dimethylamino N-ethoxy-N-ethylcarbamate has a molecular weight of 176.22 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino N-ethoxy-N-ethylcarbamate is sourced from PubChem (CID 174467424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).