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

C23H20N2O3 — CID 1326817

IUPACN-(2-ethylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
SMILESCCc1ccccc1NC(=O)C(=Cc1cccc([N+](=O)[O-])c1)c1ccccc1
InChIInChI=1S/C23H20N2O3/c1-2-18-10-6-7-14-22(18)24-23(26)21(19-11-4-3-5-12-19)16-17-9-8-13-20(15-17)25(27)28/h3-16H,2H2,1H3,(H,24,26)
InChIKeyBLEDUNCTMUDZOV-UHFFFAOYSA-N
MW372.42 g/mol
LogP5.34
Rot. Bonds6

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

N-(2-ethylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide (PubChem CID 1326817) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-(2-ethylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
PubChem CID1326817
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC NameN-(2-ethylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
SMILESCCc1ccccc1NC(=O)C(=Cc1cccc([N+](=O)[O-])c1)c1ccccc1
InChIInChI=1S/C23H20N2O3/c1-2-18-10-6-7-14-22(18)24-23(26)21(19-11-4-3-5-12-19)16-17-9-8-13-20(15-17)25(27)28/h3-16H,2H2,1H3,(H,24,26)
InChIKeyBLEDUNCTMUDZOV-UHFFFAOYSA-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

(E)-N-(4-ethylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 126035738
(E)-N-(4-chloro-2-methylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 2276931
(E)-N-(4-chlorophenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 2269158
(Z)-N-(4-chlorophenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 1334103
N-(2-ethylphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide
CID 5050166
N-(3-methylsulfanylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 1302186
(Z)-N-(2-methyl-3-nitrophenyl)-2,3-diphenylprop-2-enamide
CID 2190509
(E)-N-(4-bromo-3-chlorophenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 126274701
(E)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 92676195
(E)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 30394970
(Z)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 28589955
(Z)-N-(2-ethylphenyl)-3-hydroxy-3-(3-nitrophenyl)-2-pyridin-1-ium-1-ylprop-2-enethioamide
CID 135908070

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide?
The IUPAC name of N-(2-ethylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide (CID 1326817) is N-(2-ethylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide.
What is the SMILES notation for N-(2-ethylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide?
The canonical SMILES for N-(2-ethylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide is CCc1ccccc1NC(=O)C(=Cc1cccc([N+](=O)[O-])c1)c1ccccc1.
What is the InChIKey of N-(2-ethylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide?
The InChIKey is BLEDUNCTMUDZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-2-18-10-6-7-14-22(18)24-23(26)21(19-11-4-3-5-12-19)16-17-9-8-13-20(15-17)25(27)28/h3-16H,2H2,1H3,(H,24,26).
What are the key properties of N-(2-ethylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide?
N-(2-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 N-(2-ethylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide is sourced from PubChem (CID 1326817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).