N-(2-methoxyacetyl)-N-methyl-3-phenylprop-2-enamide

C13H15NO3 — CID 57080009

IUPACN-(2-methoxyacetyl)-N-methyl-3-phenylprop-2-enamide
SMILESCOCC(=O)N(C)C(=O)C=Cc1ccccc1
InChIInChI=1S/C13H15NO3/c1-14(13(16)10-17-2)12(15)9-8-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChIKeyFOWWMNBNYWKZQY-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.33
Rot. Bonds4

About N-(2-methoxyacetyl)-N-methyl-3-phenylprop-2-enamide

N-(2-methoxyacetyl)-N-methyl-3-phenylprop-2-enamide (PubChem CID 57080009) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(2-methoxyacetyl)-N-methyl-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-(2-methoxyacetyl)-N-methyl-3-phenylprop-2-enamide
PubChem CID57080009
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC NameN-(2-methoxyacetyl)-N-methyl-3-phenylprop-2-enamide
SMILESCOCC(=O)N(C)C(=O)C=Cc1ccccc1
InChIInChI=1S/C13H15NO3/c1-14(13(16)10-17-2)12(15)9-8-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChIKeyFOWWMNBNYWKZQY-UHFFFAOYSA-N
XLogP1.33
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(2-methoxyacetyl)-N-methyl-3-phenylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-Oxo-3-phenylallyl)morpholine
CID 691098
N,N-Diethylcinnamamide
CID 817779
4-(3-(4-Fluorophenyl)-2-propenoyl)morpholine
CID 923524
Cinnamamide, N-(2-hydroxyethyl)-N-methyl-
CID 6303480
N,N-Bis(2-hydroxyethyl)cinnamamide
CID 5273477
4-[3-(2-Methylphenyl)acryloyl]morpholine
CID 775437
1-[(E)-3-phenylprop-2-enoyl]-2,3-dihydropyridin-6-one
CID 60184708
N,N-bis(2-hydroxyethyl)-3-phenylprop-2-enamide
CID 35433
N-benzyl-2-ethoxy-N-ethylacetamide
CID 2162886
1-(4-Morpholinyl)-3-phenyl-2-propen-1-one
CID 27964
1-[(E)-2-methyl-3-phenylprop-2-enoyl]-2,3-dihydropyridin-6-one
CID 60185606
Cinnamamide, N-tert-butyl-N-(2-hydroxyethyl)-
CID 6434376

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyacetyl)-N-methyl-3-phenylprop-2-enamide?
The IUPAC name of N-(2-methoxyacetyl)-N-methyl-3-phenylprop-2-enamide (CID 57080009) is N-(2-methoxyacetyl)-N-methyl-3-phenylprop-2-enamide.
What is the SMILES notation for N-(2-methoxyacetyl)-N-methyl-3-phenylprop-2-enamide?
The canonical SMILES for N-(2-methoxyacetyl)-N-methyl-3-phenylprop-2-enamide is COCC(=O)N(C)C(=O)C=Cc1ccccc1.
What is the InChIKey of N-(2-methoxyacetyl)-N-methyl-3-phenylprop-2-enamide?
The InChIKey is FOWWMNBNYWKZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-14(13(16)10-17-2)12(15)9-8-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3.
What are the key properties of N-(2-methoxyacetyl)-N-methyl-3-phenylprop-2-enamide?
N-(2-methoxyacetyl)-N-methyl-3-phenylprop-2-enamide has a molecular weight of 233.27 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyacetyl)-N-methyl-3-phenylprop-2-enamide is sourced from PubChem (CID 57080009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).