2-(4-ethylanilino)ethyl 2-methylprop-2-enoate

C14H19NO2 — CID 57248614

IUPAC2-(4-ethylanilino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNc1ccc(CC)cc1
InChIInChI=1S/C14H19NO2/c1-4-12-5-7-13(8-6-12)15-9-10-17-14(16)11(2)3/h5-8,15H,2,4,9-10H2,1,3H3
InChIKeyFPHOZSPHLJBAFZ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.78
Rot. Bonds6

About 2-(4-ethylanilino)ethyl 2-methylprop-2-enoate

2-(4-ethylanilino)ethyl 2-methylprop-2-enoate (PubChem CID 57248614) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(4-ethylanilino)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(4-ethylanilino)ethyl 2-methylprop-2-enoate
PubChem CID57248614
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-(4-ethylanilino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNc1ccc(CC)cc1
InChIInChI=1S/C14H19NO2/c1-4-12-5-7-13(8-6-12)15-9-10-17-14(16)11(2)3/h5-8,15H,2,4,9-10H2,1,3H3
InChIKeyFPHOZSPHLJBAFZ-UHFFFAOYSA-N
XLogP2.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.78
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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Related Compounds

2-(4-methylanilino)ethyl 2-methylprop-2-enoate
CID 59166790
2-[(4-ethylphenyl)carbamoyloxy]ethyl 2-methylprop-2-enoate
CID 155719005
2-(4-nitroanilino)ethyl 2-methylprop-2-enoate
CID 57224509
2-[(4-ethylphenoxy)carbonylamino]ethyl 2-methylprop-2-enoate
CID 143902345
2-[4-[bis[4-(dimethylamino)phenyl]methyl]anilino]ethyl 2-methylprop-2-enoate
CID 144813887
4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 54962007
2-acetamidoethyl N-(4-ethylphenyl)carbamate
CID 59778470
2-(propylamino)ethyl 2-methylprop-2-enoate
CID 18325626
2-[2-(4-methylphenyl)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 58004900
4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]benzoic acid
CID 18668282
N-(4-acetamidophenyl)-3-(4-ethylanilino)propanamide
CID 109036380
2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]ethyl 2-methylprop-2-enoate
CID 23463406

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylanilino)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(4-ethylanilino)ethyl 2-methylprop-2-enoate (CID 57248614) is 2-(4-ethylanilino)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(4-ethylanilino)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(4-ethylanilino)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNc1ccc(CC)cc1.
What is the InChIKey of 2-(4-ethylanilino)ethyl 2-methylprop-2-enoate?
The InChIKey is FPHOZSPHLJBAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-12-5-7-13(8-6-12)15-9-10-17-14(16)11(2)3/h5-8,15H,2,4,9-10H2,1,3H3.
What are the key properties of 2-(4-ethylanilino)ethyl 2-methylprop-2-enoate?
2-(4-ethylanilino)ethyl 2-methylprop-2-enoate has a molecular weight of 233.31 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylanilino)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 57248614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).