(E)-N,N-dimethyl-3-phenylprop-2-enamide

C11H13NO — CID 5273476

IUPAC(E)-N,N-dimethyl-3-phenylprop-2-enamide
SMILESCN(C)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C11H13NO/c1-12(2)11(13)9-8-10-6-4-3-5-7-10/h3-9H,1-2H3/b9-8+
InChIKeyAGTDAKUUKGHNCK-CMDGGOBGSA-N
MW175.23 g/mol
LogP1.79
Rot. Bonds2

About (E)-N,N-dimethyl-3-phenylprop-2-enamide

(E)-N,N-dimethyl-3-phenylprop-2-enamide (PubChem CID 5273476) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (E)-N,N-dimethyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N,N-dimethyl-3-phenylprop-2-enamide
PubChem CID5273476
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(E)-N,N-dimethyl-3-phenylprop-2-enamide
SMILESCN(C)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C11H13NO/c1-12(2)11(13)9-8-10-6-4-3-5-7-10/h3-9H,1-2H3/b9-8+
InChIKeyAGTDAKUUKGHNCK-CMDGGOBGSA-N
XLogP1.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N,N-dimethyl-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

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-3-phenylprop-2-enamide?
The IUPAC name of (E)-N,N-dimethyl-3-phenylprop-2-enamide (CID 5273476) is (E)-N,N-dimethyl-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N,N-dimethyl-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N,N-dimethyl-3-phenylprop-2-enamide is CN(C)C(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N,N-dimethyl-3-phenylprop-2-enamide?
The InChIKey is AGTDAKUUKGHNCK-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H13NO/c1-12(2)11(13)9-8-10-6-4-3-5-7-10/h3-9H,1-2H3/b9-8+.
What are the key properties of (E)-N,N-dimethyl-3-phenylprop-2-enamide?
(E)-N,N-dimethyl-3-phenylprop-2-enamide has a molecular weight of 175.23 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-3-phenylprop-2-enamide is sourced from PubChem (CID 5273476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).