methyl 4-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]benzoate

C19H19NO5 — CID 26274205

IUPACmethyl 4-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)/C=C/c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C19H19NO5/c1-23-16-10-13(11-17(12-16)24-2)4-9-18(21)20-15-7-5-14(6-8-15)19(22)25-3/h4-12H,1-3H3,(H,20,21)/b9-4+
InChIKeySOWWAFRAWWJIFD-RUDMXATFSA-N
MW341.36 g/mol
LogP3.14
Rot. Bonds6

About methyl 4-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]benzoate

methyl 4-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]benzoate (PubChem CID 26274205) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is methyl 4-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]benzoate
PubChem CID26274205
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Namemethyl 4-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)/C=C/c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C19H19NO5/c1-23-16-10-13(11-17(12-16)24-2)4-9-18(21)20-15-7-5-14(6-8-15)19(22)25-3/h4-12H,1-3H3,(H,20,21)/b9-4+
InChIKeySOWWAFRAWWJIFD-RUDMXATFSA-N
XLogP3.14
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-4-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 51300094
methyl 4-[[2-[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]oxyacetyl]amino]benzoate
CID 8664881
(E)-3-(3,5-dimethoxyphenyl)-N-[4-[(2-methoxyacetyl)amino]phenyl]prop-2-enamide
CID 46568433
methyl 4-[(E)-3-(4-carbamoylanilino)-3-oxoprop-1-enyl]benzoate
CID 8884646
(E)-3-(4-cyanophenyl)-N-[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 134131212
(E)-N-(3-acetamidophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 26688768
3-(3,5-dimethoxyphenyl)-N-[4-(1H-imidazol-2-yl)phenyl]prop-2-enamide
CID 76879130
methyl 4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzoate
CID 1040452
(E)-3-(3,5-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 26703055
(E)-3-(3,5-dimethoxyphenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 9072399
(E)-N-(3,5-dimethoxyphenyl)-3-phenylprop-2-enamide
CID 874970
methyl 4-[3-(4-propoxyphenyl)prop-2-enoylamino]benzoate
CID 3535563

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]benzoate?
The IUPAC name of methyl 4-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]benzoate (CID 26274205) is methyl 4-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]benzoate?
The canonical SMILES for methyl 4-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]benzoate is COC(=O)c1ccc(NC(=O)/C=C/c2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of methyl 4-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]benzoate?
The InChIKey is SOWWAFRAWWJIFD-RUDMXATFSA-N. The full InChI is InChI=1S/C19H19NO5/c1-23-16-10-13(11-17(12-16)24-2)4-9-18(21)20-15-7-5-14(6-8-15)19(22)25-3/h4-12H,1-3H3,(H,20,21)/b9-4+.
What are the key properties of methyl 4-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]benzoate?
methyl 4-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]benzoate has a molecular weight of 341.36 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]benzoate is sourced from PubChem (CID 26274205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).