ethyl 4-oxo-2-(4-phenylmethoxyanilino)furan-3-carboxylate

C20H19NO5 — CID 139075631

IUPACethyl 4-oxo-2-(4-phenylmethoxyanilino)furan-3-carboxylate
SMILESCCOC(=O)C1=C(Nc2ccc(OCc3ccccc3)cc2)OCC1=O
InChIInChI=1S/C20H19NO5/c1-2-24-20(23)18-17(22)13-26-19(18)21-15-8-10-16(11-9-15)25-12-14-6-4-3-5-7-14/h3-11,21H,2,12-13H2,1H3
InChIKeyGDZDKEJRRLOOBV-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.05
Rot. Bonds7

About ethyl 4-oxo-2-(4-phenylmethoxyanilino)furan-3-carboxylate

ethyl 4-oxo-2-(4-phenylmethoxyanilino)furan-3-carboxylate (PubChem CID 139075631) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is ethyl 4-oxo-2-(4-phenylmethoxyanilino)furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-2-(4-phenylmethoxyanilino)furan-3-carboxylate
PubChem CID139075631
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Nameethyl 4-oxo-2-(4-phenylmethoxyanilino)furan-3-carboxylate
SMILESCCOC(=O)C1=C(Nc2ccc(OCc3ccccc3)cc2)OCC1=O
InChIInChI=1S/C20H19NO5/c1-2-24-20(23)18-17(22)13-26-19(18)21-15-8-10-16(11-9-15)25-12-14-6-4-3-5-7-14/h3-11,21H,2,12-13H2,1H3
InChIKeyGDZDKEJRRLOOBV-UHFFFAOYSA-N
XLogP3.05
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 58095622
ethyl 4-oxo-2-[[(1R,2S)-2-phenylcyclopropyl]amino]furan-3-carboxylate
CID 70401985
ethyl 2-(4-phenylmethoxyanilino)acetate
CID 3652798
ethyl 2-(4-chloro-2-methylanilino)-4-oxofuran-3-carboxylate
CID 118194872
ethyl N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]carbamate
CID 113021244
ethyl N-[5-(4-phenylmethoxyanilino)-2-pyridinyl]carbamate
CID 113035842
ethyl 4-oxo-4-(4-phenylmethoxyanilino)butanoate
CID 4947468
[4-[4-[4-[(4-methylphenoxy)methyl]benzoyl]anilino]phenyl]-phenylmethanone
CID 58819189
diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 11393300
ethyl 5-phenylmethoxypyridine-2-carboxylate
CID 66626531
ethyl 3-(4-phenylmethoxyphenyl)oxirane-2-carboxylate
CID 11277925
ethyl 2-[(4S)-2-oxo-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidin-3-yl]pentanoate
CID 139677052

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-2-(4-phenylmethoxyanilino)furan-3-carboxylate?
The IUPAC name of ethyl 4-oxo-2-(4-phenylmethoxyanilino)furan-3-carboxylate (CID 139075631) is ethyl 4-oxo-2-(4-phenylmethoxyanilino)furan-3-carboxylate.
What is the SMILES notation for ethyl 4-oxo-2-(4-phenylmethoxyanilino)furan-3-carboxylate?
The canonical SMILES for ethyl 4-oxo-2-(4-phenylmethoxyanilino)furan-3-carboxylate is CCOC(=O)C1=C(Nc2ccc(OCc3ccccc3)cc2)OCC1=O.
What is the InChIKey of ethyl 4-oxo-2-(4-phenylmethoxyanilino)furan-3-carboxylate?
The InChIKey is GDZDKEJRRLOOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-2-24-20(23)18-17(22)13-26-19(18)21-15-8-10-16(11-9-15)25-12-14-6-4-3-5-7-14/h3-11,21H,2,12-13H2,1H3.
What are the key properties of ethyl 4-oxo-2-(4-phenylmethoxyanilino)furan-3-carboxylate?
ethyl 4-oxo-2-(4-phenylmethoxyanilino)furan-3-carboxylate has a molecular weight of 353.37 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-2-(4-phenylmethoxyanilino)furan-3-carboxylate is sourced from PubChem (CID 139075631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).