2-(2,4-dimethylanilino)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide

C18H20N4O3 — CID 968312

IUPAC2-(2,4-dimethylanilino)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)CNc1ccc(C)cc1C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H20N4O3/c1-12-7-8-17(13(2)9-12)19-11-18(23)21-20-14(3)15-5-4-6-16(10-15)22(24)25/h4-10,19H,11H2,1-3H3,(H,21,23)
InChIKeyWVLQWBXWFCYIDQ-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.16
Rot. Bonds6

About 2-(2,4-dimethylanilino)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide

2-(2,4-dimethylanilino)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide (PubChem CID 968312) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide
PubChem CID968312
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name2-(2,4-dimethylanilino)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)CNc1ccc(C)cc1C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H20N4O3/c1-12-7-8-17(13(2)9-12)19-11-18(23)21-20-14(3)15-5-4-6-16(10-15)22(24)25/h4-10,19H,11H2,1-3H3,(H,21,23)
InChIKeyWVLQWBXWFCYIDQ-UHFFFAOYSA-N
XLogP3.16
TPSA96.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

N-[1-(3-methylphenyl)ethylideneamino]-3-nitrobenzamide
CID 3472309
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
2-(3,5-dimethylphenoxy)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide
CID 927162
N-(2,4-dimethylphenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide
CID 3352206
3-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide
CID 2790127
2-(2,4-dimethylanilino)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 4630446
2-(2-methylphenoxy)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide
CID 5404940
2-(4-ethylphenyl)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide
CID 126369200
2-(2,3-dimethylphenoxy)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide
CID 23010565
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide
CID 1087227

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(2,4-dimethylanilino)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide (CID 968312) is 2-(2,4-dimethylanilino)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(2,4-dimethylanilino)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(2,4-dimethylanilino)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide is CC(=NNC(=O)CNc1ccc(C)cc1C)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(2,4-dimethylanilino)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide?
The InChIKey is WVLQWBXWFCYIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-12-7-8-17(13(2)9-12)19-11-18(23)21-20-14(3)15-5-4-6-16(10-15)22(24)25/h4-10,19H,11H2,1-3H3,(H,21,23).
What are the key properties of 2-(2,4-dimethylanilino)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide?
2-(2,4-dimethylanilino)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide has a molecular weight of 340.38 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylanilino)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide is sourced from PubChem (CID 968312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).