ethyl (E)-3-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)prop-2-enoylamino]anilino]prop-2-enoate

C24H28N2O7 — CID 140901099

IUPACethyl (E)-3-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)prop-2-enoylamino]anilino]prop-2-enoate
SMILESC=C(C(=O)Nc1ccc(OC)c(N/C=C/C(=O)OCC)c1)c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C24H28N2O7/c1-7-33-22(27)10-11-25-18-12-16(8-9-19(18)30-4)26-24(28)15(2)23-20(31-5)13-17(29-3)14-21(23)32-6/h8-14,25H,2,7H2,1,3-6H3,(H,26,28)/b11-10+
InChIKeySDZOQOAIUYOKOO-ZHACJKMWSA-N
MW456.50 g/mol
LogP3.86
Rot. Bonds11

About ethyl (E)-3-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)prop-2-enoylamino]anilino]prop-2-enoate

ethyl (E)-3-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)prop-2-enoylamino]anilino]prop-2-enoate (PubChem CID 140901099) has the molecular formula C24H28N2O7 and a molecular weight of 456.50 g/mol. Its IUPAC name is ethyl (E)-3-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)prop-2-enoylamino]anilino]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)prop-2-enoylamino]anilino]prop-2-enoate
PubChem CID140901099
Molecular FormulaC24H28N2O7
Molecular Weight456.50 g/mol
Exact Mass456.19
IUPAC Nameethyl (E)-3-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)prop-2-enoylamino]anilino]prop-2-enoate
SMILESC=C(C(=O)Nc1ccc(OC)c(N/C=C/C(=O)OCC)c1)c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C24H28N2O7/c1-7-33-22(27)10-11-25-18-12-16(8-9-19(18)30-4)26-24(28)15(2)23-20(31-5)13-17(29-3)14-21(23)32-6/h8-14,25H,2,7H2,1,3-6H3,(H,26,28)/b11-10+
InChIKeySDZOQOAIUYOKOO-ZHACJKMWSA-N
XLogP3.86
TPSA104.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethyl (E)-3-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)prop-2-enoylamino]anilino]prop-2-enoate with MolForge

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Related Compounds

ethyl 2-[3-[(2-ethoxy-2-oxoacetyl)amino]-4-methoxyanilino]-2-oxoacetate
CID 12897325
ethyl (E)-4-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]anilino]but-2-enoate;molecular hydrogen
CID 145244680
(E)-N-[4-methoxy-3-[[(Z)-3-oxo-3-(3,4,5-trimethoxyphenyl)prop-1-enyl]amino]phenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enamide
CID 126519388
(E)-3-(2,4-dimethoxy-6-methylphenyl)-N-[4-methoxy-3-[[(Z)-3-oxo-3-(3,4,5-trimethoxyphenyl)prop-1-enyl]amino]phenyl]prop-2-enamide
CID 126559373
ethyl N-[4-methoxy-3-(methylamino)phenyl]carbamate
CID 163895586
methyl (E)-3-(5-chloro-2-methoxyanilino)prop-2-enoate
CID 103233655
(E)-1-(2,5-dimethoxyanilino)-4,4-dimethylpent-1-en-3-one
CID 2188681
ethyl (E)-3-(3,4-dimethoxyanilino)but-2-enoate
CID 14383551
(E)-N-[4-methoxy-3-(trifluoromethylsulfonylamino)phenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enamide
CID 10345448
ethyl (Z)-3-[[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]-3-pyridinyl]amino]prop-2-enoate
CID 139417283
ethyl 2-(2,5-dimethoxyanilino)-2-oxoacetate
CID 3494164
3-[2-methoxy-5-[[(E)-3-(2,4,6-trimethoxyphenyl)prop-2-enoyl]amino]anilino]propanoic acid
CID 10342644

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)prop-2-enoylamino]anilino]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)prop-2-enoylamino]anilino]prop-2-enoate (CID 140901099) is ethyl (E)-3-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)prop-2-enoylamino]anilino]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)prop-2-enoylamino]anilino]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)prop-2-enoylamino]anilino]prop-2-enoate is C=C(C(=O)Nc1ccc(OC)c(N/C=C/C(=O)OCC)c1)c1c(OC)cc(OC)cc1OC.
What is the InChIKey of ethyl (E)-3-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)prop-2-enoylamino]anilino]prop-2-enoate?
The InChIKey is SDZOQOAIUYOKOO-ZHACJKMWSA-N. The full InChI is InChI=1S/C24H28N2O7/c1-7-33-22(27)10-11-25-18-12-16(8-9-19(18)30-4)26-24(28)15(2)23-20(31-5)13-17(29-3)14-21(23)32-6/h8-14,25H,2,7H2,1,3-6H3,(H,26,28)/b11-10+.
What are the key properties of ethyl (E)-3-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)prop-2-enoylamino]anilino]prop-2-enoate?
ethyl (E)-3-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)prop-2-enoylamino]anilino]prop-2-enoate has a molecular weight of 456.50 g/mol, XLogP of 3.86, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)prop-2-enoylamino]anilino]prop-2-enoate is sourced from PubChem (CID 140901099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).