ethyl 2-(4-ethoxycarbonylanilino)-4-hydroxyfuran-3-carboxylate

C16H17NO6 — CID 54200672

IUPACethyl 2-(4-ethoxycarbonylanilino)-4-hydroxyfuran-3-carboxylate
SMILESCCOC(=O)c1ccc(Nc2occ(O)c2C(=O)OCC)cc1
InChIInChI=1S/C16H17NO6/c1-3-21-15(19)10-5-7-11(8-6-10)17-14-13(12(18)9-23-14)16(20)22-4-2/h5-9,17-18H,3-4H2,1-2H3
InChIKeyPOZZGTINVVXHSH-UHFFFAOYSA-N
MW319.31 g/mol
LogP3.08
Rot. Bonds6

About ethyl 2-(4-ethoxycarbonylanilino)-4-hydroxyfuran-3-carboxylate

ethyl 2-(4-ethoxycarbonylanilino)-4-hydroxyfuran-3-carboxylate (PubChem CID 54200672) has the molecular formula C16H17NO6 and a molecular weight of 319.31 g/mol. Its IUPAC name is ethyl 2-(4-ethoxycarbonylanilino)-4-hydroxyfuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-ethoxycarbonylanilino)-4-hydroxyfuran-3-carboxylate
PubChem CID54200672
Molecular FormulaC16H17NO6
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC Nameethyl 2-(4-ethoxycarbonylanilino)-4-hydroxyfuran-3-carboxylate
SMILESCCOC(=O)c1ccc(Nc2occ(O)c2C(=O)OCC)cc1
InChIInChI=1S/C16H17NO6/c1-3-21-15(19)10-5-7-11(8-6-10)17-14-13(12(18)9-23-14)16(20)22-4-2/h5-9,17-18H,3-4H2,1-2H3
InChIKeyPOZZGTINVVXHSH-UHFFFAOYSA-N
XLogP3.08
TPSA98.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[4-(2-methylpropanoylamino)anilino]benzoate
CID 112989351
ethyl 4-[(2-hydroxybenzoyl)amino]benzoate
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ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
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ethyl 4-(4-acetamidophenyl)benzoate
CID 134688952
ethyl 4-[[2-(ethoxycarbonylamino)acetyl]amino]benzoate
CID 113000796
ethyl 4-[(2-hydroxyphenyl)carbamoylamino]benzoate
CID 108871366
ethyl 4-[(2-chloro-4,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)amino]benzoate
CID 155490441
ethane;ethyl 4-methylbenzoate
CID 142095143
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethyl 4-aminobenzoate
CID 2337
ethyl 5-(4-methoxyanilino)-3-methyl-1,2-oxazole-4-carboxylate
CID 44522768
ethyl 4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)amino]benzoate
CID 86729978

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-ethoxycarbonylanilino)-4-hydroxyfuran-3-carboxylate?
The IUPAC name of ethyl 2-(4-ethoxycarbonylanilino)-4-hydroxyfuran-3-carboxylate (CID 54200672) is ethyl 2-(4-ethoxycarbonylanilino)-4-hydroxyfuran-3-carboxylate.
What is the SMILES notation for ethyl 2-(4-ethoxycarbonylanilino)-4-hydroxyfuran-3-carboxylate?
The canonical SMILES for ethyl 2-(4-ethoxycarbonylanilino)-4-hydroxyfuran-3-carboxylate is CCOC(=O)c1ccc(Nc2occ(O)c2C(=O)OCC)cc1.
What is the InChIKey of ethyl 2-(4-ethoxycarbonylanilino)-4-hydroxyfuran-3-carboxylate?
The InChIKey is POZZGTINVVXHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO6/c1-3-21-15(19)10-5-7-11(8-6-10)17-14-13(12(18)9-23-14)16(20)22-4-2/h5-9,17-18H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(4-ethoxycarbonylanilino)-4-hydroxyfuran-3-carboxylate?
ethyl 2-(4-ethoxycarbonylanilino)-4-hydroxyfuran-3-carboxylate has a molecular weight of 319.31 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-ethoxycarbonylanilino)-4-hydroxyfuran-3-carboxylate is sourced from PubChem (CID 54200672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).