3-[3-[(dimethylamino)methyl]phenyl]-N,N-dimethylprop-2-enamide

C14H20N2O — CID 69456517

IUPAC3-[3-[(dimethylamino)methyl]phenyl]-N,N-dimethylprop-2-enamide
SMILESCN(C)Cc1cccc(C=CC(=O)N(C)C)c1
InChIInChI=1S/C14H20N2O/c1-15(2)11-13-7-5-6-12(10-13)8-9-14(17)16(3)4/h5-10H,11H2,1-4H3
InChIKeyXEIAVKMZAPIMIW-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.85
Rot. Bonds4

About 3-[3-[(dimethylamino)methyl]phenyl]-N,N-dimethylprop-2-enamide

3-[3-[(dimethylamino)methyl]phenyl]-N,N-dimethylprop-2-enamide (PubChem CID 69456517) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-[3-[(dimethylamino)methyl]phenyl]-N,N-dimethylprop-2-enamide.

Molecular Properties

Compound Name3-[3-[(dimethylamino)methyl]phenyl]-N,N-dimethylprop-2-enamide
PubChem CID69456517
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-[3-[(dimethylamino)methyl]phenyl]-N,N-dimethylprop-2-enamide
SMILESCN(C)Cc1cccc(C=CC(=O)N(C)C)c1
InChIInChI=1S/C14H20N2O/c1-15(2)11-13-7-5-6-12(10-13)8-9-14(17)16(3)4/h5-10H,11H2,1-4H3
InChIKeyXEIAVKMZAPIMIW-UHFFFAOYSA-N
XLogP1.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[3-[(dimethylamino)methyl]phenyl]-N,N-dimethylprop-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

(E)-3-[3-[[ethyl(methyl)amino]methyl]phenyl]prop-2-enoic acid
CID 109375421
3-[3-[[3-(dimethylamino)propyl-methylamino]methyl]phenyl]prop-2-enoic acid
CID 77017482
3-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]prop-2-enoic acid
CID 54974678
3-[3-[[2,2-dimethylpropanoyl(methyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76907618
(E)-3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]prop-2-enamide
CID 115343261
3-[3-[[methyl(3-methylbutanoyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76907706
3-[3-[(N,2-dimethylanilino)methyl]phenyl]prop-2-enoic acid
CID 76931011
3-[3-[[methyl(3,3,3-trifluoropropanoyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76907769
N-benzyl-3-(3-fluorophenyl)-N-methylprop-2-enamide
CID 78774303
3-[3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76909244
(E)-3-[3-[[methyl(pentyl)amino]methyl]phenyl]prop-2-enoic acid
CID 109375462
(E)-3-[3-[[3-hydroxybutyl(methyl)amino]methyl]phenyl]prop-2-enoic acid
CID 113499840

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(dimethylamino)methyl]phenyl]-N,N-dimethylprop-2-enamide?
The IUPAC name of 3-[3-[(dimethylamino)methyl]phenyl]-N,N-dimethylprop-2-enamide (CID 69456517) is 3-[3-[(dimethylamino)methyl]phenyl]-N,N-dimethylprop-2-enamide.
What is the SMILES notation for 3-[3-[(dimethylamino)methyl]phenyl]-N,N-dimethylprop-2-enamide?
The canonical SMILES for 3-[3-[(dimethylamino)methyl]phenyl]-N,N-dimethylprop-2-enamide is CN(C)Cc1cccc(C=CC(=O)N(C)C)c1.
What is the InChIKey of 3-[3-[(dimethylamino)methyl]phenyl]-N,N-dimethylprop-2-enamide?
The InChIKey is XEIAVKMZAPIMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-15(2)11-13-7-5-6-12(10-13)8-9-14(17)16(3)4/h5-10H,11H2,1-4H3.
What are the key properties of 3-[3-[(dimethylamino)methyl]phenyl]-N,N-dimethylprop-2-enamide?
3-[3-[(dimethylamino)methyl]phenyl]-N,N-dimethylprop-2-enamide has a molecular weight of 232.33 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(dimethylamino)methyl]phenyl]-N,N-dimethylprop-2-enamide is sourced from PubChem (CID 69456517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).