methyl (Z)-4-(4-carbamoylanilino)-2-ethylbut-2-enoate

C14H18N2O3 — CID 103233248

IUPACmethyl (Z)-4-(4-carbamoylanilino)-2-ethylbut-2-enoate
SMILESCC/C(=C/CNc1ccc(C(N)=O)cc1)C(=O)OC
InChIInChI=1S/C14H18N2O3/c1-3-10(14(18)19-2)8-9-16-12-6-4-11(5-7-12)13(15)17/h4-8,16H,3,9H2,1-2H3,(H2,15,17)/b10-8-
InChIKeyOIJKNXJNADWRHZ-NTMALXAHSA-N
MW262.31 g/mol
LogP1.71
Rot. Bonds6

About methyl (Z)-4-(4-carbamoylanilino)-2-ethylbut-2-enoate

methyl (Z)-4-(4-carbamoylanilino)-2-ethylbut-2-enoate (PubChem CID 103233248) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl (Z)-4-(4-carbamoylanilino)-2-ethylbut-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-4-(4-carbamoylanilino)-2-ethylbut-2-enoate
PubChem CID103233248
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namemethyl (Z)-4-(4-carbamoylanilino)-2-ethylbut-2-enoate
SMILESCC/C(=C/CNc1ccc(C(N)=O)cc1)C(=O)OC
InChIInChI=1S/C14H18N2O3/c1-3-10(14(18)19-2)8-9-16-12-6-4-11(5-7-12)13(15)17/h4-8,16H,3,9H2,1-2H3,(H2,15,17)/b10-8-
InChIKeyOIJKNXJNADWRHZ-NTMALXAHSA-N
XLogP1.71
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (Z)-4-(4-tert-butylanilino)-2-ethylbut-2-enoate
CID 103232175
methyl (Z)-2-ethyl-4-(3-fluoro-4-methoxyanilino)but-2-enoate
CID 103237879
methyl (Z)-2-ethyl-4-(2-ethylanilino)but-2-enoate
CID 103235876
methyl (Z)-4-(3-bromo-5-methoxyanilino)-2-ethylbut-2-enoate
CID 103262067
methyl 4-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-ethylbut-2-enoate
CID 103242985
methyl (Z)-4-(2,3-difluoroanilino)-2-ethylbut-2-enoate
CID 103242673
4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]benzamide
CID 104561439
methyl 4-(tert-butylamino)-2-ethylbut-2-enoate
CID 103235173
methyl 4-(2,6-dibromo-4-methylanilino)-2-ethylbut-2-enoate
CID 103236809
methyl (E)-4-(4-bromoanilino)-2-methylbut-2-enoate
CID 103728185
(Z)-4-[4-(diethylamino)anilino]-2-ethylbut-2-enoic acid
CID 103250381
ethyl 4-(4-carbamoylanilino)butanoate
CID 60679098

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-4-(4-carbamoylanilino)-2-ethylbut-2-enoate?
The IUPAC name of methyl (Z)-4-(4-carbamoylanilino)-2-ethylbut-2-enoate (CID 103233248) is methyl (Z)-4-(4-carbamoylanilino)-2-ethylbut-2-enoate.
What is the SMILES notation for methyl (Z)-4-(4-carbamoylanilino)-2-ethylbut-2-enoate?
The canonical SMILES for methyl (Z)-4-(4-carbamoylanilino)-2-ethylbut-2-enoate is CC/C(=C/CNc1ccc(C(N)=O)cc1)C(=O)OC.
What is the InChIKey of methyl (Z)-4-(4-carbamoylanilino)-2-ethylbut-2-enoate?
The InChIKey is OIJKNXJNADWRHZ-NTMALXAHSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-10(14(18)19-2)8-9-16-12-6-4-11(5-7-12)13(15)17/h4-8,16H,3,9H2,1-2H3,(H2,15,17)/b10-8-.
What are the key properties of methyl (Z)-4-(4-carbamoylanilino)-2-ethylbut-2-enoate?
methyl (Z)-4-(4-carbamoylanilino)-2-ethylbut-2-enoate has a molecular weight of 262.31 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-4-(4-carbamoylanilino)-2-ethylbut-2-enoate is sourced from PubChem (CID 103233248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).