(E)-N-[3-(dimethylamino)propyl]-N-(2,6-dimethylphenyl)-3-phenylprop-2-enamide

C22H28N2O — CID 6433711

IUPAC(E)-N-[3-(dimethylamino)propyl]-N-(2,6-dimethylphenyl)-3-phenylprop-2-enamide
SMILESCc1cccc(C)c1N(CCCN(C)C)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C22H28N2O/c1-18-10-8-11-19(2)22(18)24(17-9-16-23(3)4)21(25)15-14-20-12-6-5-7-13-20/h5-8,10-15H,9,16-17H2,1-4H3/b15-14+
InChIKeyOVAZLWZUJJDABM-CCEZHUSRSA-N
MW336.48 g/mol
LogP4.30
Rot. Bonds7

About (E)-N-[3-(dimethylamino)propyl]-N-(2,6-dimethylphenyl)-3-phenylprop-2-enamide

(E)-N-[3-(dimethylamino)propyl]-N-(2,6-dimethylphenyl)-3-phenylprop-2-enamide (PubChem CID 6433711) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is (E)-N-[3-(dimethylamino)propyl]-N-(2,6-dimethylphenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(dimethylamino)propyl]-N-(2,6-dimethylphenyl)-3-phenylprop-2-enamide
PubChem CID6433711
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name(E)-N-[3-(dimethylamino)propyl]-N-(2,6-dimethylphenyl)-3-phenylprop-2-enamide
SMILESCc1cccc(C)c1N(CCCN(C)C)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C22H28N2O/c1-18-10-8-11-19(2)22(18)24(17-9-16-23(3)4)21(25)15-14-20-12-6-5-7-13-20/h5-8,10-15H,9,16-17H2,1-4H3/b15-14+
InChIKeyOVAZLWZUJJDABM-CCEZHUSRSA-N
XLogP4.30
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-[3-(dimethylamino)propyl]-N-(2,6-dimethylphenyl)-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-[3-(dimethylamino)propyl]-N-(2,6-dimethylphenyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[3-(dimethylamino)propyl]-N-(2,6-dimethylphenyl)-3-phenylprop-2-enamide (CID 6433711) is (E)-N-[3-(dimethylamino)propyl]-N-(2,6-dimethylphenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[3-(dimethylamino)propyl]-N-(2,6-dimethylphenyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[3-(dimethylamino)propyl]-N-(2,6-dimethylphenyl)-3-phenylprop-2-enamide is Cc1cccc(C)c1N(CCCN(C)C)C(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-[3-(dimethylamino)propyl]-N-(2,6-dimethylphenyl)-3-phenylprop-2-enamide?
The InChIKey is OVAZLWZUJJDABM-CCEZHUSRSA-N. The full InChI is InChI=1S/C22H28N2O/c1-18-10-8-11-19(2)22(18)24(17-9-16-23(3)4)21(25)15-14-20-12-6-5-7-13-20/h5-8,10-15H,9,16-17H2,1-4H3/b15-14+.
What are the key properties of (E)-N-[3-(dimethylamino)propyl]-N-(2,6-dimethylphenyl)-3-phenylprop-2-enamide?
(E)-N-[3-(dimethylamino)propyl]-N-(2,6-dimethylphenyl)-3-phenylprop-2-enamide has a molecular weight of 336.48 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(dimethylamino)propyl]-N-(2,6-dimethylphenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 6433711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).