[dimethylamino-(4-methylphenyl)methyl] 2-methylprop-2-enoate

C14H19NO2 — CID 141366853

IUPAC[dimethylamino-(4-methylphenyl)methyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(c1ccc(C)cc1)N(C)C
InChIInChI=1S/C14H19NO2/c1-10(2)14(16)17-13(15(4)5)12-8-6-11(3)7-9-12/h6-9,13H,1H2,2-5H3
InChIKeyLWGPGPDWYFNIPM-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.67
Rot. Bonds4

About [dimethylamino-(4-methylphenyl)methyl] 2-methylprop-2-enoate

[dimethylamino-(4-methylphenyl)methyl] 2-methylprop-2-enoate (PubChem CID 141366853) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is [dimethylamino-(4-methylphenyl)methyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[dimethylamino-(4-methylphenyl)methyl] 2-methylprop-2-enoate
PubChem CID141366853
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name[dimethylamino-(4-methylphenyl)methyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(c1ccc(C)cc1)N(C)C
InChIInChI=1S/C14H19NO2/c1-10(2)14(16)17-13(15(4)5)12-8-6-11(3)7-9-12/h6-9,13H,1H2,2-5H3
InChIKeyLWGPGPDWYFNIPM-UHFFFAOYSA-N
XLogP2.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [dimethylamino-(4-methylphenyl)methyl] 2-methylprop-2-enoate 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

[hydroxy-(4-methylphenoxy)methyl] 2-methylprop-2-enoate
CID 135269778
1-[4-methyl-N-[1-(2-methylprop-2-enoyloxy)propyl]anilino]propyl 2-methylprop-2-enoate
CID 67046061
[2-hydroxy-2-(4-methylphenyl)ethyl] 2-methylprop-2-enoate
CID 70388302
[(3,5-dimethylphenyl)-hydroxymethyl] 2-methylprop-2-enoate
CID 178023104
[acetyloxy-(4-methylphenyl)methyl] acetate
CID 577125
1-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrobromide
CID 19073826
propan-2-yl 2-[hydroxy-(4-methylphenyl)methyl]prop-2-enoate
CID 15507734
2-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]propyl 2-methylprop-2-enoate
CID 166789153
[2-(2,5-dimethylphenyl)-1-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
CID 67137581
[2,4-dimethyl-3-(4-methylphenyl)pentan-3-yl] 2-methylprop-2-enoate
CID 89476156
4-(dimethylamino)-4-(4-methylphenyl)butan-2-one
CID 82126356
[(S)-(4-methylphenyl)-phenylmethyl] acetate
CID 40534934

Frequently Asked Questions

What is the IUPAC name of [dimethylamino-(4-methylphenyl)methyl] 2-methylprop-2-enoate?
The IUPAC name of [dimethylamino-(4-methylphenyl)methyl] 2-methylprop-2-enoate (CID 141366853) is [dimethylamino-(4-methylphenyl)methyl] 2-methylprop-2-enoate.
What is the SMILES notation for [dimethylamino-(4-methylphenyl)methyl] 2-methylprop-2-enoate?
The canonical SMILES for [dimethylamino-(4-methylphenyl)methyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(c1ccc(C)cc1)N(C)C.
What is the InChIKey of [dimethylamino-(4-methylphenyl)methyl] 2-methylprop-2-enoate?
The InChIKey is LWGPGPDWYFNIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10(2)14(16)17-13(15(4)5)12-8-6-11(3)7-9-12/h6-9,13H,1H2,2-5H3.
What are the key properties of [dimethylamino-(4-methylphenyl)methyl] 2-methylprop-2-enoate?
[dimethylamino-(4-methylphenyl)methyl] 2-methylprop-2-enoate has a molecular weight of 233.31 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethylamino-(4-methylphenyl)methyl] 2-methylprop-2-enoate is sourced from PubChem (CID 141366853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).