N-(2-ethenoxyethyl)-N-methylbenzamide

C12H15NO2 — CID 154204168

IUPACN-(2-ethenoxyethyl)-N-methylbenzamide
SMILESC=COCCN(C)C(=O)c1ccccc1
InChIInChI=1S/C12H15NO2/c1-3-15-10-9-13(2)12(14)11-7-5-4-6-8-11/h3-8H,1,9-10H2,2H3
InChIKeySMOVPHNDSQHRFX-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.92
Rot. Bonds5

About N-(2-ethenoxyethyl)-N-methylbenzamide

N-(2-ethenoxyethyl)-N-methylbenzamide (PubChem CID 154204168) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-(2-ethenoxyethyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-ethenoxyethyl)-N-methylbenzamide
PubChem CID154204168
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-(2-ethenoxyethyl)-N-methylbenzamide
SMILESC=COCCN(C)C(=O)c1ccccc1
InChIInChI=1S/C12H15NO2/c1-3-15-10-9-13(2)12(14)11-7-5-4-6-8-11/h3-8H,1,9-10H2,2H3
InChIKeySMOVPHNDSQHRFX-UHFFFAOYSA-N
XLogP1.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-ethenoxyethyl)-N-methylbenzamide 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 N-(2-ethenoxyethyl)-N-methylbenzamide?
The IUPAC name of N-(2-ethenoxyethyl)-N-methylbenzamide (CID 154204168) is N-(2-ethenoxyethyl)-N-methylbenzamide.
What is the SMILES notation for N-(2-ethenoxyethyl)-N-methylbenzamide?
The canonical SMILES for N-(2-ethenoxyethyl)-N-methylbenzamide is C=COCCN(C)C(=O)c1ccccc1.
What is the InChIKey of N-(2-ethenoxyethyl)-N-methylbenzamide?
The InChIKey is SMOVPHNDSQHRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-15-10-9-13(2)12(14)11-7-5-4-6-8-11/h3-8H,1,9-10H2,2H3.
What are the key properties of N-(2-ethenoxyethyl)-N-methylbenzamide?
N-(2-ethenoxyethyl)-N-methylbenzamide has a molecular weight of 205.26 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenoxyethyl)-N-methylbenzamide is sourced from PubChem (CID 154204168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).