methyl (Z)-2-ethyl-4-(2-methylanilino)but-2-enoate

C14H19NO2 — CID 103234978

IUPACmethyl (Z)-2-ethyl-4-(2-methylanilino)but-2-enoate
SMILESCC/C(=C/CNc1ccccc1C)C(=O)OC
InChIInChI=1S/C14H19NO2/c1-4-12(14(16)17-3)9-10-15-13-8-6-5-7-11(13)2/h5-9,15H,4,10H2,1-3H3/b12-9-
InChIKeyVTLDDWWESRYHHJ-XFXZXTDPSA-N
MW233.31 g/mol
LogP2.92
Rot. Bonds5

About methyl (Z)-2-ethyl-4-(2-methylanilino)but-2-enoate

methyl (Z)-2-ethyl-4-(2-methylanilino)but-2-enoate (PubChem CID 103234978) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl (Z)-2-ethyl-4-(2-methylanilino)but-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-ethyl-4-(2-methylanilino)but-2-enoate
PubChem CID103234978
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl (Z)-2-ethyl-4-(2-methylanilino)but-2-enoate
SMILESCC/C(=C/CNc1ccccc1C)C(=O)OC
InChIInChI=1S/C14H19NO2/c1-4-12(14(16)17-3)9-10-15-13-8-6-5-7-11(13)2/h5-9,15H,4,10H2,1-3H3/b12-9-
InChIKeyVTLDDWWESRYHHJ-XFXZXTDPSA-N
XLogP2.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (Z)-2-ethyl-4-(2-ethylanilino)but-2-enoate
CID 103235876
methyl (Z)-2-ethyl-4-[2-(trifluoromethyl)anilino]but-2-enoate
CID 103232098
methyl (Z)-4-(2,3-difluoroanilino)-2-ethylbut-2-enoate
CID 103242673
methyl (Z)-4-[2-(difluoromethylsulfanyl)anilino]-2-ethylbut-2-enoate
CID 103232608
methyl (Z)-4-(5-cyano-2-methylanilino)-2-ethylbut-2-enoate
CID 103248486
methyl (Z)-4-[(4-bromonaphthalen-1-yl)amino]-2-ethylbut-2-enoate
CID 103263662
methyl (Z)-2-ethyl-4-(2-fluoro-4-methylanilino)but-2-enoate
CID 103236318
methyl (Z)-4-(4-carbamoylanilino)-2-ethylbut-2-enoate
CID 103233248
methyl 4-(2,6-dibromo-4-methylanilino)-2-ethylbut-2-enoate
CID 103236809
(Z)-2-ethyl-4-(2-fluoroanilino)but-2-enoic acid
CID 103235463
methyl 2-ethyl-4-(2-hydroxyphenyl)sulfanylbut-2-enoate
CID 77102155
methyl 4-(tert-butylamino)-2-ethylbut-2-enoate
CID 103235173

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-ethyl-4-(2-methylanilino)but-2-enoate?
The IUPAC name of methyl (Z)-2-ethyl-4-(2-methylanilino)but-2-enoate (CID 103234978) is methyl (Z)-2-ethyl-4-(2-methylanilino)but-2-enoate.
What is the SMILES notation for methyl (Z)-2-ethyl-4-(2-methylanilino)but-2-enoate?
The canonical SMILES for methyl (Z)-2-ethyl-4-(2-methylanilino)but-2-enoate is CC/C(=C/CNc1ccccc1C)C(=O)OC.
What is the InChIKey of methyl (Z)-2-ethyl-4-(2-methylanilino)but-2-enoate?
The InChIKey is VTLDDWWESRYHHJ-XFXZXTDPSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-12(14(16)17-3)9-10-15-13-8-6-5-7-11(13)2/h5-9,15H,4,10H2,1-3H3/b12-9-.
What are the key properties of methyl (Z)-2-ethyl-4-(2-methylanilino)but-2-enoate?
methyl (Z)-2-ethyl-4-(2-methylanilino)but-2-enoate has a molecular weight of 233.31 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-ethyl-4-(2-methylanilino)but-2-enoate is sourced from PubChem (CID 103234978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).