methyl (Z)-4-(5-cyano-2-methylanilino)-2-ethylbut-2-enoate

C15H18N2O2 — CID 103248486

IUPACmethyl (Z)-4-(5-cyano-2-methylanilino)-2-ethylbut-2-enoate
SMILESCC/C(=C/CNc1cc(C#N)ccc1C)C(=O)OC
InChIInChI=1S/C15H18N2O2/c1-4-13(15(18)19-3)7-8-17-14-9-12(10-16)6-5-11(14)2/h5-7,9,17H,4,8H2,1-3H3/b13-7-
InChIKeyYXXDZCJILMIWDW-QPEQYQDCSA-N
MW258.32 g/mol
LogP2.79
Rot. Bonds5

About methyl (Z)-4-(5-cyano-2-methylanilino)-2-ethylbut-2-enoate

methyl (Z)-4-(5-cyano-2-methylanilino)-2-ethylbut-2-enoate (PubChem CID 103248486) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is methyl (Z)-4-(5-cyano-2-methylanilino)-2-ethylbut-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-4-(5-cyano-2-methylanilino)-2-ethylbut-2-enoate
PubChem CID103248486
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Namemethyl (Z)-4-(5-cyano-2-methylanilino)-2-ethylbut-2-enoate
SMILESCC/C(=C/CNc1cc(C#N)ccc1C)C(=O)OC
InChIInChI=1S/C15H18N2O2/c1-4-13(15(18)19-3)7-8-17-14-9-12(10-16)6-5-11(14)2/h5-7,9,17H,4,8H2,1-3H3/b13-7-
InChIKeyYXXDZCJILMIWDW-QPEQYQDCSA-N
XLogP2.79
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (Z)-4-(5-cyano-2-methylanilino)-2-ethylbut-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

methyl (Z)-2-ethyl-4-(2-methylanilino)but-2-enoate
CID 103234978
ethyl (E)-4-(5-cyano-2-methylanilino)but-2-enoate
CID 80548112
methyl 2-(5-cyano-2-methylanilino)-2-oxoacetate
CID 112617117
3-(ethylamino)-4-methylbenzonitrile
CID 62105760
ethyl 2-[(5-cyano-2-methylanilino)methyl]prop-2-enoate
CID 103248505
methyl (Z)-2-ethyl-4-(2-ethylanilino)but-2-enoate
CID 103235876
2-(5-cyano-2-methylanilino)-N-ethylacetamide
CID 62059546
methyl N-(5-cyano-2-methylphenyl)carbamate
CID 62065723
4-methyl-3-(2-methylidenebutylamino)benzonitrile
CID 66044026
methyl (Z)-4-(2,3-difluoroanilino)-2-ethylbut-2-enoate
CID 103242673
3-[2-(2-hydroxyethoxy)ethylamino]-4-methylbenzonitrile
CID 62104657
methyl 4-(2,6-dibromo-4-methylanilino)-2-ethylbut-2-enoate
CID 103236809

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-4-(5-cyano-2-methylanilino)-2-ethylbut-2-enoate?
The IUPAC name of methyl (Z)-4-(5-cyano-2-methylanilino)-2-ethylbut-2-enoate (CID 103248486) is methyl (Z)-4-(5-cyano-2-methylanilino)-2-ethylbut-2-enoate.
What is the SMILES notation for methyl (Z)-4-(5-cyano-2-methylanilino)-2-ethylbut-2-enoate?
The canonical SMILES for methyl (Z)-4-(5-cyano-2-methylanilino)-2-ethylbut-2-enoate is CC/C(=C/CNc1cc(C#N)ccc1C)C(=O)OC.
What is the InChIKey of methyl (Z)-4-(5-cyano-2-methylanilino)-2-ethylbut-2-enoate?
The InChIKey is YXXDZCJILMIWDW-QPEQYQDCSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-13(15(18)19-3)7-8-17-14-9-12(10-16)6-5-11(14)2/h5-7,9,17H,4,8H2,1-3H3/b13-7-.
What are the key properties of methyl (Z)-4-(5-cyano-2-methylanilino)-2-ethylbut-2-enoate?
methyl (Z)-4-(5-cyano-2-methylanilino)-2-ethylbut-2-enoate has a molecular weight of 258.32 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-4-(5-cyano-2-methylanilino)-2-ethylbut-2-enoate is sourced from PubChem (CID 103248486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).