ethyl (E)-2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoate

C16H14N2O6 — CID 6054731

IUPACethyl (E)-2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoate
SMILESCCOC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1
InChIInChI=1S/C16H14N2O6/c1-2-23-16(20)13(17-15(19)14-7-4-8-24-14)10-11-5-3-6-12(9-11)18(21)22/h3-10H,2H2,1H3,(H,17,19)/b13-10+
InChIKeyGISNTTWEVPMCRQ-JLHYYAGUSA-N
MW330.30 g/mol
LogP2.52
Rot. Bonds6

About ethyl (E)-2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoate

ethyl (E)-2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoate (PubChem CID 6054731) has the molecular formula C16H14N2O6 and a molecular weight of 330.30 g/mol. Its IUPAC name is ethyl (E)-2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoate
PubChem CID6054731
Molecular FormulaC16H14N2O6
Molecular Weight330.30 g/mol
Exact Mass330.09
IUPAC Nameethyl (E)-2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoate
SMILESCCOC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1
InChIInChI=1S/C16H14N2O6/c1-2-23-16(20)13(17-15(19)14-7-4-8-24-14)10-11-5-3-6-12(9-11)18(21)22/h3-10H,2H2,1H3,(H,17,19)/b13-10+
InChIKeyGISNTTWEVPMCRQ-JLHYYAGUSA-N
XLogP2.52
TPSA111.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoate
CID 5415762
methyl 2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoate
CID 887235
benzyl 2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoate
CID 1291915
N-[(E)-3-anilino-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 5442602
2-[[2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoyl]amino]propanoic acid
CID 2885080
benzyl 2-[[2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoyl]amino]-4-methylpentanoate
CID 2885205
(2S)-2-[[2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoyl]amino]-3-phenylpropanoic acid
CID 142711759
methyl 2-[(5-bromofuran-2-carbonyl)amino]-3-(3-nitrophenyl)prop-2-enoate
CID 1312716
ethyl (Z)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 46497662
N-[(Z)-3-[2-(1H-benzimidazol-2-yl)ethylamino]-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 5295246
N-[(E)-3-(3-imidazol-1-ylpropylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 6045062
ethyl 2-acetamido-3-(4-nitrophenyl)prop-2-enoate
CID 2908560

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoate?
The IUPAC name of ethyl (E)-2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoate (CID 6054731) is ethyl (E)-2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoate?
The canonical SMILES for ethyl (E)-2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoate is CCOC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1.
What is the InChIKey of ethyl (E)-2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoate?
The InChIKey is GISNTTWEVPMCRQ-JLHYYAGUSA-N. The full InChI is InChI=1S/C16H14N2O6/c1-2-23-16(20)13(17-15(19)14-7-4-8-24-14)10-11-5-3-6-12(9-11)18(21)22/h3-10H,2H2,1H3,(H,17,19)/b13-10+.
What are the key properties of ethyl (E)-2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoate?
ethyl (E)-2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoate has a molecular weight of 330.30 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoate is sourced from PubChem (CID 6054731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).