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

C14H19NO2 — CID 132607090

IUPACethyl 2-(2-methylanilino)pent-4-enoate
SMILESC=CCC(Nc1ccccc1C)C(=O)OCC
InChIInChI=1S/C14H19NO2/c1-4-8-13(14(16)17-5-2)15-12-10-7-6-9-11(12)3/h4,6-7,9-10,13,15H,1,5,8H2,2-3H3
InChIKeySZEUKQAMMFXSFC-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.91
Rot. Bonds6

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

ethyl 2-(2-methylanilino)pent-4-enoate (PubChem CID 132607090) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is ethyl 2-(2-methylanilino)pent-4-enoate.

Molecular Properties

Compound Nameethyl 2-(2-methylanilino)pent-4-enoate
PubChem CID132607090
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nameethyl 2-(2-methylanilino)pent-4-enoate
SMILESC=CCC(Nc1ccccc1C)C(=O)OCC
InChIInChI=1S/C14H19NO2/c1-4-8-13(14(16)17-5-2)15-12-10-7-6-9-11(12)3/h4,6-7,9-10,13,15H,1,5,8H2,2-3H3
InChIKeySZEUKQAMMFXSFC-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-methoxy-4-methyl-2-(2-methylanilino)pentanoate
CID 106675948
ethyl 2-(2-methylanilino)nonanoate
CID 63523920
ethyl 3,3-dimethyl-2-(2-methylanilino)butanoate
CID 61324566
methyl 2-(2-methylanilino)nonanoate
CID 63523567
ethyl 2-(2-bromoanilino)pentanoate
CID 54890587
(3S)-4-methoxy-3-(2-methylanilino)-4-oxobutane-1-sulfonic acid
CID 87372458
ethyl 2-(1,3-dimethylpyrazol-4-yl)-2-(2-methylanilino)acetate
CID 83091037
ethyl 2-(2-methylanilino)-2-thiophen-3-ylacetate
CID 54889988
ethyl 3-phenyl-2-(prop-2-enylamino)propanoate
CID 55063338
ethyl 2-(2-fluoroanilino)heptanoate
CID 54890514
ethyl 2-(2-methoxyanilino)-4-methylpentanoate
CID 54890505
ethyl 2-(2-hydroxyanilino)-3-nitropropanoate
CID 134811536

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methylanilino)pent-4-enoate?
The IUPAC name of ethyl 2-(2-methylanilino)pent-4-enoate (CID 132607090) is ethyl 2-(2-methylanilino)pent-4-enoate.
What is the SMILES notation for ethyl 2-(2-methylanilino)pent-4-enoate?
The canonical SMILES for ethyl 2-(2-methylanilino)pent-4-enoate is C=CCC(Nc1ccccc1C)C(=O)OCC.
What is the InChIKey of ethyl 2-(2-methylanilino)pent-4-enoate?
The InChIKey is SZEUKQAMMFXSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-8-13(14(16)17-5-2)15-12-10-7-6-9-11(12)3/h4,6-7,9-10,13,15H,1,5,8H2,2-3H3.
What are the key properties of ethyl 2-(2-methylanilino)pent-4-enoate?
ethyl 2-(2-methylanilino)pent-4-enoate has a molecular weight of 233.31 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methylanilino)pent-4-enoate is sourced from PubChem (CID 132607090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).