methyl (Z)-4-[4-[[(Z)-4-methoxy-2,3-dimethyl-4-oxobut-2-enoyl]amino]anilino]-2,3-dimethyl-4-oxobut-2-enoate

C20H24N2O6 — CID 134489536

IUPACmethyl (Z)-4-[4-[[(Z)-4-methoxy-2,3-dimethyl-4-oxobut-2-enoyl]amino]anilino]-2,3-dimethyl-4-oxobut-2-enoate
SMILESCOC(=O)/C(C)=C(/C)C(=O)Nc1ccc(NC(=O)/C(C)=C(/C)C(=O)OC)cc1
InChIInChI=1S/C20H24N2O6/c1-11(13(3)19(25)27-5)17(23)21-15-7-9-16(10-8-15)22-18(24)12(2)14(4)20(26)28-6/h7-10H,1-6H3,(H,21,23)(H,22,24)/b13-11-,14-12-
InChIKeyUIXJVEHMWDRAGD-XSYHWHKQSA-N
MW388.42 g/mol
LogP2.58
Rot. Bonds6

About methyl (Z)-4-[4-[[(Z)-4-methoxy-2,3-dimethyl-4-oxobut-2-enoyl]amino]anilino]-2,3-dimethyl-4-oxobut-2-enoate

methyl (Z)-4-[4-[[(Z)-4-methoxy-2,3-dimethyl-4-oxobut-2-enoyl]amino]anilino]-2,3-dimethyl-4-oxobut-2-enoate (PubChem CID 134489536) has the molecular formula C20H24N2O6 and a molecular weight of 388.42 g/mol. Its IUPAC name is methyl (Z)-4-[4-[[(Z)-4-methoxy-2,3-dimethyl-4-oxobut-2-enoyl]amino]anilino]-2,3-dimethyl-4-oxobut-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-4-[4-[[(Z)-4-methoxy-2,3-dimethyl-4-oxobut-2-enoyl]amino]anilino]-2,3-dimethyl-4-oxobut-2-enoate
PubChem CID134489536
Molecular FormulaC20H24N2O6
Molecular Weight388.42 g/mol
Exact Mass388.16
IUPAC Namemethyl (Z)-4-[4-[[(Z)-4-methoxy-2,3-dimethyl-4-oxobut-2-enoyl]amino]anilino]-2,3-dimethyl-4-oxobut-2-enoate
SMILESCOC(=O)/C(C)=C(/C)C(=O)Nc1ccc(NC(=O)/C(C)=C(/C)C(=O)OC)cc1
InChIInChI=1S/C20H24N2O6/c1-11(13(3)19(25)27-5)17(23)21-15-7-9-16(10-8-15)22-18(24)12(2)14(4)20(26)28-6/h7-10H,1-6H3,(H,21,23)(H,22,24)/b13-11-,14-12-
InChIKeyUIXJVEHMWDRAGD-XSYHWHKQSA-N
XLogP2.58
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl (Z)-4-[4-[[(Z)-4-methoxy-2,3-dimethyl-4-oxobut-2-enoyl]amino]anilino]-2,3-dimethyl-4-oxobut-2-enoate with MolForge

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Related Compounds

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CID 115142143
methyl 2-(4-nitroanilino)-2-oxoacetate
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methyl 2-oxo-2-(4-phenoxyanilino)acetate
CID 53359368
(Z)-4-[4-(carboxymethyl)anilino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 82036832
methyl 2-(3,4-dimethylanilino)-2-oxoacetate
CID 11557524
methyl 2-oxo-2-(4-pyrrolidin-1-ylanilino)acetate
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dimethyl 2-[1-(4-bromoanilino)ethylidene]propanedioate
CID 177386870
(Z)-2-methyl-3-(methylamino)-N-phenylbut-2-enamide
CID 70960210
2-(4-methoxyanilino)-2-oxoacetic acid
CID 4962374
tris[4-(2-methylprop-2-enoylamino)phenyl] stiborite
CID 172860369
methyl (Z)-2-hydroxy-4-[4-[[(E)-3-hydroxy-4-methoxy-4-oxobut-2-enoyl]amino]anilino]-4-oxobut-2-enoate
CID 134489839
(E)-2-chloro-3-methyl-N,N'-diphenylbut-2-enediamide
CID 88680256

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-4-[4-[[(Z)-4-methoxy-2,3-dimethyl-4-oxobut-2-enoyl]amino]anilino]-2,3-dimethyl-4-oxobut-2-enoate?
The IUPAC name of methyl (Z)-4-[4-[[(Z)-4-methoxy-2,3-dimethyl-4-oxobut-2-enoyl]amino]anilino]-2,3-dimethyl-4-oxobut-2-enoate (CID 134489536) is methyl (Z)-4-[4-[[(Z)-4-methoxy-2,3-dimethyl-4-oxobut-2-enoyl]amino]anilino]-2,3-dimethyl-4-oxobut-2-enoate.
What is the SMILES notation for methyl (Z)-4-[4-[[(Z)-4-methoxy-2,3-dimethyl-4-oxobut-2-enoyl]amino]anilino]-2,3-dimethyl-4-oxobut-2-enoate?
The canonical SMILES for methyl (Z)-4-[4-[[(Z)-4-methoxy-2,3-dimethyl-4-oxobut-2-enoyl]amino]anilino]-2,3-dimethyl-4-oxobut-2-enoate is COC(=O)/C(C)=C(/C)C(=O)Nc1ccc(NC(=O)/C(C)=C(/C)C(=O)OC)cc1.
What is the InChIKey of methyl (Z)-4-[4-[[(Z)-4-methoxy-2,3-dimethyl-4-oxobut-2-enoyl]amino]anilino]-2,3-dimethyl-4-oxobut-2-enoate?
The InChIKey is UIXJVEHMWDRAGD-XSYHWHKQSA-N. The full InChI is InChI=1S/C20H24N2O6/c1-11(13(3)19(25)27-5)17(23)21-15-7-9-16(10-8-15)22-18(24)12(2)14(4)20(26)28-6/h7-10H,1-6H3,(H,21,23)(H,22,24)/b13-11-,14-12-.
What are the key properties of methyl (Z)-4-[4-[[(Z)-4-methoxy-2,3-dimethyl-4-oxobut-2-enoyl]amino]anilino]-2,3-dimethyl-4-oxobut-2-enoate?
methyl (Z)-4-[4-[[(Z)-4-methoxy-2,3-dimethyl-4-oxobut-2-enoyl]amino]anilino]-2,3-dimethyl-4-oxobut-2-enoate has a molecular weight of 388.42 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-4-[4-[[(Z)-4-methoxy-2,3-dimethyl-4-oxobut-2-enoyl]amino]anilino]-2,3-dimethyl-4-oxobut-2-enoate is sourced from PubChem (CID 134489536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).