2-(4-methylanilino)ethyl prop-2-enoate

C12H15NO2 — CID 155280082

IUPAC2-(4-methylanilino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCNc1ccc(C)cc1
InChIInChI=1S/C12H15NO2/c1-3-12(14)15-9-8-13-11-6-4-10(2)5-7-11/h3-7,13H,1,8-9H2,2H3
InChIKeyYMOVOZREAOBXCZ-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.14
Rot. Bonds5

About 2-(4-methylanilino)ethyl prop-2-enoate

2-(4-methylanilino)ethyl prop-2-enoate (PubChem CID 155280082) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(4-methylanilino)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(4-methylanilino)ethyl prop-2-enoate
PubChem CID155280082
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-(4-methylanilino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCNc1ccc(C)cc1
InChIInChI=1S/C12H15NO2/c1-3-12(14)15-9-8-13-11-6-4-10(2)5-7-11/h3-7,13H,1,8-9H2,2H3
InChIKeyYMOVOZREAOBXCZ-UHFFFAOYSA-N
XLogP2.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-methylanilino)ethyl prop-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

2-(4-methylanilino)ethyl 2-methylprop-2-enoate
CID 59166790
2-cyanoethyl prop-2-enoate;1,4-xylene
CID 67852962
2-[4-methyl-N-(2-prop-2-enoyloxyethyl)anilino]ethyl prop-2-enoate
CID 59017027
N-(2-but-3-enoxyethyl)-4-methylaniline
CID 62599565
ethyl 3-(4-methylanilino)propanoate
CID 23052674
bis(2-anilinoethyl) (E)-but-2-enedioate;hydrochloride
CID 90411271
6-(4-methylanilino)hexyl acetate
CID 142531812
5-(4-methylphenyl)pent-4-ynyl prop-2-enoate
CID 18736504
2-acetamidoethyl prop-2-enoate
CID 23089005
4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 4072797
2-[[5-(hydroxyamino)-2-methylphenyl]carbamoyloxy]ethyl prop-2-enoate
CID 177169829
2-[[4,8-dihydroxy-9,10-dioxo-5-(2-prop-2-enoyloxyethylamino)anthracen-1-yl]amino]ethyl prop-2-enoate
CID 54442571

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylanilino)ethyl prop-2-enoate?
The IUPAC name of 2-(4-methylanilino)ethyl prop-2-enoate (CID 155280082) is 2-(4-methylanilino)ethyl prop-2-enoate.
What is the SMILES notation for 2-(4-methylanilino)ethyl prop-2-enoate?
The canonical SMILES for 2-(4-methylanilino)ethyl prop-2-enoate is C=CC(=O)OCCNc1ccc(C)cc1.
What is the InChIKey of 2-(4-methylanilino)ethyl prop-2-enoate?
The InChIKey is YMOVOZREAOBXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-12(14)15-9-8-13-11-6-4-10(2)5-7-11/h3-7,13H,1,8-9H2,2H3.
What are the key properties of 2-(4-methylanilino)ethyl prop-2-enoate?
2-(4-methylanilino)ethyl prop-2-enoate has a molecular weight of 205.26 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylanilino)ethyl prop-2-enoate is sourced from PubChem (CID 155280082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).