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

C18H19N3O3 — CID 4014223

IUPAC2-(3,4-dimethylphenyl)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)Cc1ccc(C)c(C)c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H19N3O3/c1-12-7-8-15(9-13(12)2)10-18(22)20-19-14(3)16-5-4-6-17(11-16)21(23)24/h4-9,11H,10H2,1-3H3,(H,20,22)
InChIKeyXGDYZKMRQVBSBK-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.29
Rot. Bonds5

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

2-(3,4-dimethylphenyl)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide (PubChem CID 4014223) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide
PubChem CID4014223
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name2-(3,4-dimethylphenyl)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)Cc1ccc(C)c(C)c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H19N3O3/c1-12-7-8-15(9-13(12)2)10-18(22)20-19-14(3)16-5-4-6-17(11-16)21(23)24/h4-9,11H,10H2,1-3H3,(H,20,22)
InChIKeyXGDYZKMRQVBSBK-UHFFFAOYSA-N
XLogP3.29
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.29
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'}

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Related Compounds

2-(4-ethylphenyl)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide
CID 126369200
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
2-(2,4-dimethylanilino)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide
CID 968312
2-(2-methylphenoxy)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide
CID 5404940
2-(2,3-dimethylphenoxy)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide
CID 23010565
2-(3,4-dimethylphenoxy)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]propanamide
CID 17169274
2-(3,5-dimethylphenoxy)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide
CID 927162
2-[(4-bromophenyl)methylsulfanyl]-N-[1-(3-nitrophenyl)ethylideneamino]acetamide
CID 4240241
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide
CID 1087227
N'-[1-(3-nitrophenyl)ethylideneamino]-N-phenylbutanediamide
CID 3495200

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide (CID 4014223) is 2-(3,4-dimethylphenyl)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide is CC(=NNC(=O)Cc1ccc(C)c(C)c1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide?
The InChIKey is XGDYZKMRQVBSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-12-7-8-15(9-13(12)2)10-18(22)20-19-14(3)16-5-4-6-17(11-16)21(23)24/h4-9,11H,10H2,1-3H3,(H,20,22).
What are the key properties of 2-(3,4-dimethylphenyl)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide?
2-(3,4-dimethylphenyl)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide has a molecular weight of 325.37 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide is sourced from PubChem (CID 4014223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).