ethyl 3-[3-(furan-2-carbonylamino)phenyl]-3-oxopropanoate

C16H15NO5 — CID 172721491

IUPACethyl 3-[3-(furan-2-carbonylamino)phenyl]-3-oxopropanoate
SMILESCCOC(=O)CC(=O)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C16H15NO5/c1-2-21-15(19)10-13(18)11-5-3-6-12(9-11)17-16(20)14-7-4-8-22-14/h3-9H,2,10H2,1H3,(H,17,20)
InChIKeyGONRDOLUTYIBON-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.67
Rot. Bonds6

About ethyl 3-[3-(furan-2-carbonylamino)phenyl]-3-oxopropanoate

ethyl 3-[3-(furan-2-carbonylamino)phenyl]-3-oxopropanoate (PubChem CID 172721491) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is ethyl 3-[3-(furan-2-carbonylamino)phenyl]-3-oxopropanoate.

Molecular Properties

Compound Nameethyl 3-[3-(furan-2-carbonylamino)phenyl]-3-oxopropanoate
PubChem CID172721491
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Nameethyl 3-[3-(furan-2-carbonylamino)phenyl]-3-oxopropanoate
SMILESCCOC(=O)CC(=O)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C16H15NO5/c1-2-21-15(19)10-13(18)11-5-3-6-12(9-11)17-16(20)14-7-4-8-22-14/h3-9H,2,10H2,1H3,(H,17,20)
InChIKeyGONRDOLUTYIBON-UHFFFAOYSA-N
XLogP2.67
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(furan-2-yl)-3-oxopropanoate
CID 2759240
N-[3-[(3-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27244358
sodium;ethyl 3-(furan-2-yl)-3-oxopropanoate;hydride
CID 175451832
N-[3-[(4-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51179863
N-[3-[(3-ethoxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55844290
N-[4-(3-acetylanilino)phenyl]furan-2-carboxamide
CID 112988117
N-[3-[(3-ethenylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 891471
N-[3-(2-hydroxypropylcarbamoyl)phenyl]furan-2-carboxamide
CID 78897732
N-[5-[(3-carbamoylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 78779252
N-[3-[(2-benzamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55934006
methyl N-[1-[3-(furan-2-carbonylamino)phenyl]ethylideneamino]carbamate
CID 3713909
N-[3-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]furan-2-carboxamide
CID 26169191

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-(furan-2-carbonylamino)phenyl]-3-oxopropanoate?
The IUPAC name of ethyl 3-[3-(furan-2-carbonylamino)phenyl]-3-oxopropanoate (CID 172721491) is ethyl 3-[3-(furan-2-carbonylamino)phenyl]-3-oxopropanoate.
What is the SMILES notation for ethyl 3-[3-(furan-2-carbonylamino)phenyl]-3-oxopropanoate?
The canonical SMILES for ethyl 3-[3-(furan-2-carbonylamino)phenyl]-3-oxopropanoate is CCOC(=O)CC(=O)c1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of ethyl 3-[3-(furan-2-carbonylamino)phenyl]-3-oxopropanoate?
The InChIKey is GONRDOLUTYIBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5/c1-2-21-15(19)10-13(18)11-5-3-6-12(9-11)17-16(20)14-7-4-8-22-14/h3-9H,2,10H2,1H3,(H,17,20).
What are the key properties of ethyl 3-[3-(furan-2-carbonylamino)phenyl]-3-oxopropanoate?
ethyl 3-[3-(furan-2-carbonylamino)phenyl]-3-oxopropanoate has a molecular weight of 301.30 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-(furan-2-carbonylamino)phenyl]-3-oxopropanoate is sourced from PubChem (CID 172721491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).