2-anilinoethyl 2-methylprop-2-enoate

C12H15NO2 — CID 29530

IUPAC2-anilinoethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNc1ccccc1
InChIInChI=1S/C12H15NO2/c1-10(2)12(14)15-9-8-13-11-6-4-3-5-7-11/h3-7,13H,1,8-9H2,2H3
InChIKeyUGCSBAYAYZNGRD-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.22
Rot. Bonds5

About 2-anilinoethyl 2-methylprop-2-enoate

2-anilinoethyl 2-methylprop-2-enoate (PubChem CID 29530) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-anilinoethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-anilinoethyl 2-methylprop-2-enoate
PubChem CID29530
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-anilinoethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNc1ccccc1
InChIInChI=1S/C12H15NO2/c1-10(2)12(14)15-9-8-13-11-6-4-3-5-7-11/h3-7,13H,1,8-9H2,2H3
InChIKeyUGCSBAYAYZNGRD-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-anilinoethyl 2-methylprop-2-enoate?
The IUPAC name of 2-anilinoethyl 2-methylprop-2-enoate (CID 29530) is 2-anilinoethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-anilinoethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-anilinoethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNc1ccccc1.
What is the InChIKey of 2-anilinoethyl 2-methylprop-2-enoate?
The InChIKey is UGCSBAYAYZNGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-10(2)12(14)15-9-8-13-11-6-4-3-5-7-11/h3-7,13H,1,8-9H2,2H3.
What are the key properties of 2-anilinoethyl 2-methylprop-2-enoate?
2-anilinoethyl 2-methylprop-2-enoate has a molecular weight of 205.26 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilinoethyl 2-methylprop-2-enoate is sourced from PubChem (CID 29530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).