(E)-N-(4-ethylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide

C23H20N2O3 — CID 126035738

IUPAC(E)-N-(4-ethylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
SMILESCCc1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1
InChIInChI=1S/C23H20N2O3/c1-2-17-11-13-20(14-12-17)24-23(26)22(19-8-4-3-5-9-19)16-18-7-6-10-21(15-18)25(27)28/h3-16H,2H2,1H3,(H,24,26)/b22-16+
InChIKeyYRXMTNMPJLQAFA-CJLVFECKSA-N
MW372.42 g/mol
LogP5.34
Rot. Bonds6

About (E)-N-(4-ethylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide

(E)-N-(4-ethylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide (PubChem CID 126035738) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is (E)-N-(4-ethylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-ethylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
PubChem CID126035738
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name(E)-N-(4-ethylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
SMILESCCc1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1
InChIInChI=1S/C23H20N2O3/c1-2-17-11-13-20(14-12-17)24-23(26)22(19-8-4-3-5-9-19)16-18-7-6-10-21(15-18)25(27)28/h3-16H,2H2,1H3,(H,24,26)/b22-16+
InChIKeyYRXMTNMPJLQAFA-CJLVFECKSA-N
XLogP5.34
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.42
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-(4-chlorophenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 1334103
(E)-N-(4-chlorophenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 2269158
N-(2-ethylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 1326817
(E)-N-(4-ethylphenyl)-2,3-diphenylprop-2-enamide
CID 6534390
N-(3-methylsulfanylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 1302186
(E)-N-(4-bromo-3-chlorophenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 126274701
(Z)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 28589955
(E)-N-(4-chloro-2-methylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 2276931
(E)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 92676195
3-(2-chlorophenyl)-N-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 1322752
(E)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 30394970
(2E)-N-(4-nitrophenyl)-2-[(3-nitrophenyl)methylidene]-3-oxobutanamide
CID 7912090

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-ethylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide?
The IUPAC name of (E)-N-(4-ethylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide (CID 126035738) is (E)-N-(4-ethylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-ethylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(4-ethylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide is CCc1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1.
What is the InChIKey of (E)-N-(4-ethylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide?
The InChIKey is YRXMTNMPJLQAFA-CJLVFECKSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-2-17-11-13-20(14-12-17)24-23(26)22(19-8-4-3-5-9-19)16-18-7-6-10-21(15-18)25(27)28/h3-16H,2H2,1H3,(H,24,26)/b22-16+.
What are the key properties of (E)-N-(4-ethylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide?
(E)-N-(4-ethylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide has a molecular weight of 372.42 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-ethylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide is sourced from PubChem (CID 126035738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).