[2-(4-morpholin-4-ylanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate

C28H28N2O5 — CID 2388591

IUPAC[2-(4-morpholin-4-ylanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
SMILESCOc1ccccc1/C=C(/C(=O)OCC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C28H28N2O5/c1-33-26-10-6-5-9-22(26)19-25(21-7-3-2-4-8-21)28(32)35-20-27(31)29-23-11-13-24(14-12-23)30-15-17-34-18-16-30/h2-14,19H,15-18,20H2,1H3,(H,29,31)/b25-19+
InChIKeyLIBBLRHYJINAKE-NCELDCMTSA-N
MW472.54 g/mol
LogP4.25
Rot. Bonds8

About [2-(4-morpholin-4-ylanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate

[2-(4-morpholin-4-ylanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate (PubChem CID 2388591) has the molecular formula C28H28N2O5 and a molecular weight of 472.54 g/mol. Its IUPAC name is [2-(4-morpholin-4-ylanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate.

Molecular Properties

Compound Name[2-(4-morpholin-4-ylanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
PubChem CID2388591
Molecular FormulaC28H28N2O5
Molecular Weight472.54 g/mol
Exact Mass472.20
IUPAC Name[2-(4-morpholin-4-ylanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
SMILESCOc1ccccc1/C=C(/C(=O)OCC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C28H28N2O5/c1-33-26-10-6-5-9-22(26)19-25(21-7-3-2-4-8-21)28(32)35-20-27(31)29-23-11-13-24(14-12-23)30-15-17-34-18-16-30/h2-14,19H,15-18,20H2,1H3,(H,29,31)/b25-19+
InChIKeyLIBBLRHYJINAKE-NCELDCMTSA-N
XLogP4.25
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

[2-(4-methoxyanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 7448232
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-methoxyphenyl)acetate
CID 7990034
[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 31143401
[2-(2,6-difluoroanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 2460171
[2-(3-methylsulfanylanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 16533995
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 7702649
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 6223654
N-(4-morpholin-4-ylphenyl)-2-phenoxyacetamide
CID 675127
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate
CID 7784610
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 3958330
2-[[2-(2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592860
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 7448218

Frequently Asked Questions

What is the IUPAC name of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate?
The IUPAC name of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate (CID 2388591) is [2-(4-morpholin-4-ylanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate.
What is the SMILES notation for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate?
The canonical SMILES for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate is COc1ccccc1/C=C(/C(=O)OCC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1.
What is the InChIKey of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate?
The InChIKey is LIBBLRHYJINAKE-NCELDCMTSA-N. The full InChI is InChI=1S/C28H28N2O5/c1-33-26-10-6-5-9-22(26)19-25(21-7-3-2-4-8-21)28(32)35-20-27(31)29-23-11-13-24(14-12-23)30-15-17-34-18-16-30/h2-14,19H,15-18,20H2,1H3,(H,29,31)/b25-19+.
What are the key properties of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate?
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate has a molecular weight of 472.54 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate is sourced from PubChem (CID 2388591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).