ethyl 4-[[5-(furan-2-yl)-3-oxocyclohexen-1-yl]amino]benzoate

C19H19NO4 — CID 2878114

IUPACethyl 4-[[5-(furan-2-yl)-3-oxocyclohexen-1-yl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC2=CC(=O)CC(c3ccco3)C2)cc1
InChIInChI=1S/C19H19NO4/c1-2-23-19(22)13-5-7-15(8-6-13)20-16-10-14(11-17(21)12-16)18-4-3-9-24-18/h3-9,12,14,20H,2,10-11H2,1H3
InChIKeyLYZKDCURNVNBDU-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.90
Rot. Bonds5

About ethyl 4-[[5-(furan-2-yl)-3-oxocyclohexen-1-yl]amino]benzoate

ethyl 4-[[5-(furan-2-yl)-3-oxocyclohexen-1-yl]amino]benzoate (PubChem CID 2878114) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is ethyl 4-[[5-(furan-2-yl)-3-oxocyclohexen-1-yl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[5-(furan-2-yl)-3-oxocyclohexen-1-yl]amino]benzoate
PubChem CID2878114
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Nameethyl 4-[[5-(furan-2-yl)-3-oxocyclohexen-1-yl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC2=CC(=O)CC(c3ccco3)C2)cc1
InChIInChI=1S/C19H19NO4/c1-2-23-19(22)13-5-7-15(8-6-13)20-16-10-14(11-17(21)12-16)18-4-3-9-24-18/h3-9,12,14,20H,2,10-11H2,1H3
InChIKeyLYZKDCURNVNBDU-UHFFFAOYSA-N
XLogP3.90
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[5-(furan-2-yl)-3-oxocyclohexen-1-yl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(furan-2-yl)-2-methyl-5-oxo-N-(o-tolyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
CID 11646235
4-(2-furyl)-2,6-dimethyl-N3,N5-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide
CID 21716122
4-(2-Furyl)Aniline Hydrochloride
CID 4191105
(2E)-N-(4-Acetylphenyl)-3-(5-ethyl-2-furyl)acrylamide
CID 7464118
Methyl 4-[(3-methoxyphenyl)carbonylamino]benzoate
CID 743729
N-(2-amino-5-(furan-2-yl)phenyl)benzamide
CID 46830328
Methyl 4-(3-phenoxypropanoylamino)benzoate
CID 725603
3-(5-ethylfuran-2-yl)-N-(4-ethylphenyl)propanamide
CID 942220
Butyl 4-[[2-(furan-2-ylmethylamino)-2-oxoacetyl]amino]benzoate
CID 1903239
N-(4-ethylphenyl)-3-(5-methylfuran-2-yl)propanamide
CID 2952210
{4-[3-(5-Methyl-furan-2-yl)-propionylamino]-phenyl}-acetic acid
CID 2988586
[2-[4-(Butanoylamino)phenyl]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 7433785

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-(furan-2-yl)-3-oxocyclohexen-1-yl]amino]benzoate?
The IUPAC name of ethyl 4-[[5-(furan-2-yl)-3-oxocyclohexen-1-yl]amino]benzoate (CID 2878114) is ethyl 4-[[5-(furan-2-yl)-3-oxocyclohexen-1-yl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[5-(furan-2-yl)-3-oxocyclohexen-1-yl]amino]benzoate?
The canonical SMILES for ethyl 4-[[5-(furan-2-yl)-3-oxocyclohexen-1-yl]amino]benzoate is CCOC(=O)c1ccc(NC2=CC(=O)CC(c3ccco3)C2)cc1.
What is the InChIKey of ethyl 4-[[5-(furan-2-yl)-3-oxocyclohexen-1-yl]amino]benzoate?
The InChIKey is LYZKDCURNVNBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-2-23-19(22)13-5-7-15(8-6-13)20-16-10-14(11-17(21)12-16)18-4-3-9-24-18/h3-9,12,14,20H,2,10-11H2,1H3.
What are the key properties of ethyl 4-[[5-(furan-2-yl)-3-oxocyclohexen-1-yl]amino]benzoate?
ethyl 4-[[5-(furan-2-yl)-3-oxocyclohexen-1-yl]amino]benzoate has a molecular weight of 325.36 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-(furan-2-yl)-3-oxocyclohexen-1-yl]amino]benzoate is sourced from PubChem (CID 2878114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).