ethyl 5-(2-morpholin-4-ylethoxy)-3-oxo-1-phenylindene-2-carboxylate

C24H25NO5 — CID 68697506

IUPACethyl 5-(2-morpholin-4-ylethoxy)-3-oxo-1-phenylindene-2-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)c2ccc(OCCN3CCOCC3)cc2C1=O
InChIInChI=1S/C24H25NO5/c1-2-29-24(27)22-21(17-6-4-3-5-7-17)19-9-8-18(16-20(19)23(22)26)30-15-12-25-10-13-28-14-11-25/h3-9,16H,2,10-15H2,1H3
InChIKeyRHOKFMFBJCVCFX-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.96
Rot. Bonds7

About ethyl 5-(2-morpholin-4-ylethoxy)-3-oxo-1-phenylindene-2-carboxylate

ethyl 5-(2-morpholin-4-ylethoxy)-3-oxo-1-phenylindene-2-carboxylate (PubChem CID 68697506) has the molecular formula C24H25NO5 and a molecular weight of 407.47 g/mol. Its IUPAC name is ethyl 5-(2-morpholin-4-ylethoxy)-3-oxo-1-phenylindene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-morpholin-4-ylethoxy)-3-oxo-1-phenylindene-2-carboxylate
PubChem CID68697506
Molecular FormulaC24H25NO5
Molecular Weight407.47 g/mol
Exact Mass407.17
IUPAC Nameethyl 5-(2-morpholin-4-ylethoxy)-3-oxo-1-phenylindene-2-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)c2ccc(OCCN3CCOCC3)cc2C1=O
InChIInChI=1S/C24H25NO5/c1-2-29-24(27)22-21(17-6-4-3-5-7-17)19-9-8-18(16-20(19)23(22)26)30-15-12-25-10-13-28-14-11-25/h3-9,16H,2,10-15H2,1H3
InChIKeyRHOKFMFBJCVCFX-UHFFFAOYSA-N
XLogP2.96
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

5-(2-morpholin-4-ylethoxy)-3-oxo-1-phenyl-N-propan-2-ylindene-2-carboxamide
CID 141124358
2-methoxycarbonyl-N-methyl-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-imine oxide
CID 11524635
2-(3,4-difluorophenyl)-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-one
CID 51002326
N-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-imine oxide
CID 11684115
6-(2-morpholin-4-ylethoxy)-3-phenyl-2-quinolin-3-ylinden-1-one
CID 51002188
2-(1-benzothiophen-3-yl)-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-one
CID 51002094
5-(2-morpholin-4-ylethoxy)-3-phenyl-2-pyridin-4-ylinden-1-one
CID 51002189
5-(2-morpholin-4-ylethoxy)-3-phenyl-2-pyridin-3-ylinden-1-one
CID 51002145
3-(4-chlorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylinden-1-one
CID 51002367
ethyl 5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxylate
CID 18668888
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
ethyl 5-(2-morpholin-4-ylethoxy)-1H-indole-2-carboxylate
CID 11623861

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-morpholin-4-ylethoxy)-3-oxo-1-phenylindene-2-carboxylate?
The IUPAC name of ethyl 5-(2-morpholin-4-ylethoxy)-3-oxo-1-phenylindene-2-carboxylate (CID 68697506) is ethyl 5-(2-morpholin-4-ylethoxy)-3-oxo-1-phenylindene-2-carboxylate.
What is the SMILES notation for ethyl 5-(2-morpholin-4-ylethoxy)-3-oxo-1-phenylindene-2-carboxylate?
The canonical SMILES for ethyl 5-(2-morpholin-4-ylethoxy)-3-oxo-1-phenylindene-2-carboxylate is CCOC(=O)C1=C(c2ccccc2)c2ccc(OCCN3CCOCC3)cc2C1=O.
What is the InChIKey of ethyl 5-(2-morpholin-4-ylethoxy)-3-oxo-1-phenylindene-2-carboxylate?
The InChIKey is RHOKFMFBJCVCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5/c1-2-29-24(27)22-21(17-6-4-3-5-7-17)19-9-8-18(16-20(19)23(22)26)30-15-12-25-10-13-28-14-11-25/h3-9,16H,2,10-15H2,1H3.
What are the key properties of ethyl 5-(2-morpholin-4-ylethoxy)-3-oxo-1-phenylindene-2-carboxylate?
ethyl 5-(2-morpholin-4-ylethoxy)-3-oxo-1-phenylindene-2-carboxylate has a molecular weight of 407.47 g/mol, XLogP of 2.96, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-morpholin-4-ylethoxy)-3-oxo-1-phenylindene-2-carboxylate is sourced from PubChem (CID 68697506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).