2-(4-ethylphenyl)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide

C18H19N3O3 — CID 126369200

IUPAC2-(4-ethylphenyl)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide
SMILESCCc1ccc(CC(=O)N/N=C(/C)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C18H19N3O3/c1-3-14-7-9-15(10-8-14)11-18(22)20-19-13(2)16-5-4-6-17(12-16)21(23)24/h4-10,12H,3,11H2,1-2H3,(H,20,22)/b19-13-
InChIKeyPMNWPNFOTOPAJD-UYRXBGFRSA-N
MW325.37 g/mol
LogP3.24
Rot. Bonds6

About 2-(4-ethylphenyl)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide

2-(4-ethylphenyl)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide (PubChem CID 126369200) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-ethylphenyl)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide
PubChem CID126369200
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name2-(4-ethylphenyl)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide
SMILESCCc1ccc(CC(=O)N/N=C(/C)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C18H19N3O3/c1-3-14-7-9-15(10-8-14)11-18(22)20-19-13(2)16-5-4-6-17(12-16)21(23)24/h4-10,12H,3,11H2,1-2H3,(H,20,22)/b19-13-
InChIKeyPMNWPNFOTOPAJD-UYRXBGFRSA-N
XLogP3.24
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-ethylphenyl)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dimethylphenyl)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide
CID 4014223
N,N'-bis[(Z)-1-(3-nitrophenyl)ethylideneamino]oxamide
CID 6310047
4-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]-4-oxobutanoic acid
CID 3478000
3-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide
CID 2790127
N-(1-naphthalen-2-ylethylideneamino)-2-(4-nitrophenyl)acetamide
CID 5201296
2-[(4-bromophenyl)methylsulfanyl]-N-[1-(3-nitrophenyl)ethylideneamino]acetamide
CID 4240241
N'-[1-(3-nitrophenyl)ethylideneamino]-N-phenylbutanediamide
CID 3495200
N-[(Z)-1-(4-ethylphenyl)ethylideneamino]-2-phenylacetamide
CID 6343025
2-(3,5-dimethylphenoxy)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide
CID 927162
[(Z)-1-(3-nitrophenyl)ethylideneamino]thiourea
CID 5391961
2-(2,4-dimethylanilino)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide
CID 968312
2-(2-methylphenoxy)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide
CID 5404940

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(4-ethylphenyl)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide (CID 126369200) is 2-(4-ethylphenyl)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(4-ethylphenyl)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(4-ethylphenyl)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide is CCc1ccc(CC(=O)N/N=C(/C)c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide?
The InChIKey is PMNWPNFOTOPAJD-UYRXBGFRSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-3-14-7-9-15(10-8-14)11-18(22)20-19-13(2)16-5-4-6-17(12-16)21(23)24/h4-10,12H,3,11H2,1-2H3,(H,20,22)/b19-13-.
What are the key properties of 2-(4-ethylphenyl)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide?
2-(4-ethylphenyl)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide has a molecular weight of 325.37 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide is sourced from PubChem (CID 126369200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).