N-[(E)-(2-methylcyclohexylidene)amino]-2-(4-nitrophenyl)acetamide

C15H19N3O3 — CID 6384080

IUPACN-[(E)-(2-methylcyclohexylidene)amino]-2-(4-nitrophenyl)acetamide
SMILESCC1CCCC/C1=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H19N3O3/c1-11-4-2-3-5-14(11)16-17-15(19)10-12-6-8-13(9-7-12)18(20)21/h6-9,11H,2-5,10H2,1H3,(H,17,19)/b16-14+
InChIKeyRNXTUQQVSPCGOI-JQIJEIRASA-N
MW289.33 g/mol
LogP2.82
Rot. Bonds4

About N-[(E)-(2-methylcyclohexylidene)amino]-2-(4-nitrophenyl)acetamide

N-[(E)-(2-methylcyclohexylidene)amino]-2-(4-nitrophenyl)acetamide (PubChem CID 6384080) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[(E)-(2-methylcyclohexylidene)amino]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-(2-methylcyclohexylidene)amino]-2-(4-nitrophenyl)acetamide
PubChem CID6384080
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-[(E)-(2-methylcyclohexylidene)amino]-2-(4-nitrophenyl)acetamide
SMILESCC1CCCC/C1=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H19N3O3/c1-11-4-2-3-5-14(11)16-17-15(19)10-12-6-8-13(9-7-12)18(20)21/h6-9,11H,2-5,10H2,1H3,(H,17,19)/b16-14+
InChIKeyRNXTUQQVSPCGOI-JQIJEIRASA-N
XLogP2.82
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.82
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

N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-2-(4-nitrophenyl)acetamide
CID 6090239
N,N'-bis[(2-methylcyclohexylidene)amino]heptanediamide
CID 4657097
N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(4-nitrophenyl)acetamide
CID 98192372
N-cyclopropyl-2-(4-nitrophenyl)acetamide
CID 4249885
N'-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-N-phenylbutanediamide
CID 5413708
2-(4-chloroanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide
CID 5333078
2-(4-nitrophenyl)-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]acetamide
CID 7459077
N-(2,3-dimethylcyclohexyl)-2-(4-nitrophenyl)acetamide
CID 51165974
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide
CID 8882439
N-[(E)-(2-ethylcyclopentylidene)amino]-2-(4-nitrophenoxy)acetamide
CID 6384661
2-(4-nitrophenyl)-N-[(1R)-2-oxocyclopentyl]acetamide
CID 58413628
N-(2-amino-1-cyclopentylethyl)-2-(4-nitrophenyl)acetamide
CID 106737533

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-methylcyclohexylidene)amino]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[(E)-(2-methylcyclohexylidene)amino]-2-(4-nitrophenyl)acetamide (CID 6384080) is N-[(E)-(2-methylcyclohexylidene)amino]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[(E)-(2-methylcyclohexylidene)amino]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[(E)-(2-methylcyclohexylidene)amino]-2-(4-nitrophenyl)acetamide is CC1CCCC/C1=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(E)-(2-methylcyclohexylidene)amino]-2-(4-nitrophenyl)acetamide?
The InChIKey is RNXTUQQVSPCGOI-JQIJEIRASA-N. The full InChI is InChI=1S/C15H19N3O3/c1-11-4-2-3-5-14(11)16-17-15(19)10-12-6-8-13(9-7-12)18(20)21/h6-9,11H,2-5,10H2,1H3,(H,17,19)/b16-14+.
What are the key properties of N-[(E)-(2-methylcyclohexylidene)amino]-2-(4-nitrophenyl)acetamide?
N-[(E)-(2-methylcyclohexylidene)amino]-2-(4-nitrophenyl)acetamide has a molecular weight of 289.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-methylcyclohexylidene)amino]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 6384080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).