N-(2,5-diethoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide

C19H20N2O5 — CID 75618226

IUPACN-(2,5-diethoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
SMILESCCOc1ccc(OCC)c(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C19H20N2O5/c1-3-25-16-10-11-18(26-4-2)17(13-16)20-19(22)12-7-14-5-8-15(9-6-14)21(23)24/h5-13H,3-4H2,1-2H3,(H,20,22)
InChIKeyZNRLLVKFXGDMPB-UHFFFAOYSA-N
MW356.38 g/mol
LogP4.04
Rot. Bonds8

About N-(2,5-diethoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide

N-(2,5-diethoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide (PubChem CID 75618226) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
PubChem CID75618226
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC NameN-(2,5-diethoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
SMILESCCOc1ccc(OCC)c(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C19H20N2O5/c1-3-25-16-10-11-18(26-4-2)17(13-16)20-19(22)12-7-14-5-8-15(9-6-14)21(23)24/h5-13H,3-4H2,1-2H3,(H,20,22)
InChIKeyZNRLLVKFXGDMPB-UHFFFAOYSA-N
XLogP4.04
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 54.04
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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Related Compounds

N-(2-butoxy-5-methoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 76861901
(E)-1-(2,5-diethoxyphenyl)-3-(4-nitrophenyl)prop-2-en-1-one
CID 9030348
(Z)-N-(2-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 20834743
N-(2-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 3127031
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 5190970
N-(4-ethoxy-2-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 2933763
(E)-3-(4-tert-butylphenyl)-N-(4-ethoxy-2-nitrophenyl)prop-2-enamide
CID 6027037
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide
CID 51161619
N-(4-ethoxy-2-nitrophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 2931629
3-(4-ethoxy-3-methoxyphenyl)-N-(2-fluoro-5-nitrophenyl)prop-2-enamide
CID 76860578
N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-4-nitrobenzohydrazide
CID 9314781
(E)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 6043889

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide (CID 75618226) is N-(2,5-diethoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide is CCOc1ccc(OCC)c(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide?
The InChIKey is ZNRLLVKFXGDMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-3-25-16-10-11-18(26-4-2)17(13-16)20-19(22)12-7-14-5-8-15(9-6-14)21(23)24/h5-13H,3-4H2,1-2H3,(H,20,22).
What are the key properties of N-(2,5-diethoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide?
N-(2,5-diethoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide has a molecular weight of 356.38 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 75618226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).