(E)-N-(2-methoxydibenzofuran-3-yl)-3-(4-nitrophenyl)prop-2-enamide

C22H16N2O5 — CID 1423897

IUPAC(E)-N-(2-methoxydibenzofuran-3-yl)-3-(4-nitrophenyl)prop-2-enamide
SMILESCOc1cc2c(cc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)oc1ccccc12
InChIInChI=1S/C22H16N2O5/c1-28-21-12-17-16-4-2-3-5-19(16)29-20(17)13-18(21)23-22(25)11-8-14-6-9-15(10-7-14)24(26)27/h2-13H,1H3,(H,23,25)/b11-8+
InChIKeyCFDBMEYFVCFNMG-DHZHZOJOSA-N
MW388.38 g/mol
LogP5.15
Rot. Bonds5

About (E)-N-(2-methoxydibenzofuran-3-yl)-3-(4-nitrophenyl)prop-2-enamide

(E)-N-(2-methoxydibenzofuran-3-yl)-3-(4-nitrophenyl)prop-2-enamide (PubChem CID 1423897) has the molecular formula C22H16N2O5 and a molecular weight of 388.38 g/mol. Its IUPAC name is (E)-N-(2-methoxydibenzofuran-3-yl)-3-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-methoxydibenzofuran-3-yl)-3-(4-nitrophenyl)prop-2-enamide
PubChem CID1423897
Molecular FormulaC22H16N2O5
Molecular Weight388.38 g/mol
Exact Mass388.11
IUPAC Name(E)-N-(2-methoxydibenzofuran-3-yl)-3-(4-nitrophenyl)prop-2-enamide
SMILESCOc1cc2c(cc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)oc1ccccc12
InChIInChI=1S/C22H16N2O5/c1-28-21-12-17-16-4-2-3-5-19(16)29-20(17)13-18(21)23-22(25)11-8-14-6-9-15(10-7-14)24(26)27/h2-13H,1H3,(H,23,25)/b11-8+
InChIKeyCFDBMEYFVCFNMG-DHZHZOJOSA-N
XLogP5.15
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.38
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methoxydibenzofuran-3-yl)-3-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-methoxydibenzofuran-3-yl)-3-(4-nitrophenyl)prop-2-enamide (CID 1423897) is (E)-N-(2-methoxydibenzofuran-3-yl)-3-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-methoxydibenzofuran-3-yl)-3-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-methoxydibenzofuran-3-yl)-3-(4-nitrophenyl)prop-2-enamide is COc1cc2c(cc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)oc1ccccc12.
What is the InChIKey of (E)-N-(2-methoxydibenzofuran-3-yl)-3-(4-nitrophenyl)prop-2-enamide?
The InChIKey is CFDBMEYFVCFNMG-DHZHZOJOSA-N. The full InChI is InChI=1S/C22H16N2O5/c1-28-21-12-17-16-4-2-3-5-19(16)29-20(17)13-18(21)23-22(25)11-8-14-6-9-15(10-7-14)24(26)27/h2-13H,1H3,(H,23,25)/b11-8+.
What are the key properties of (E)-N-(2-methoxydibenzofuran-3-yl)-3-(4-nitrophenyl)prop-2-enamide?
(E)-N-(2-methoxydibenzofuran-3-yl)-3-(4-nitrophenyl)prop-2-enamide has a molecular weight of 388.38 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methoxydibenzofuran-3-yl)-3-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 1423897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).