3-cyclohexyl-N-[(E)-1-(3-nitrophenyl)ethylideneamino]propanamide

C17H23N3O3 — CID 117071464

IUPAC3-cyclohexyl-N-[(E)-1-(3-nitrophenyl)ethylideneamino]propanamide
SMILESC/C(=N\NC(=O)CCC1CCCCC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H23N3O3/c1-13(15-8-5-9-16(12-15)20(22)23)18-19-17(21)11-10-14-6-3-2-4-7-14/h5,8-9,12,14H,2-4,6-7,10-11H2,1H3,(H,19,21)/b18-13+
InChIKeyTYAYGBQCLLFPFR-QGOAFFKASA-N
MW317.39 g/mol
LogP3.80
Rot. Bonds6

About 3-cyclohexyl-N-[(E)-1-(3-nitrophenyl)ethylideneamino]propanamide

3-cyclohexyl-N-[(E)-1-(3-nitrophenyl)ethylideneamino]propanamide (PubChem CID 117071464) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-cyclohexyl-N-[(E)-1-(3-nitrophenyl)ethylideneamino]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[(E)-1-(3-nitrophenyl)ethylideneamino]propanamide
PubChem CID117071464
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name3-cyclohexyl-N-[(E)-1-(3-nitrophenyl)ethylideneamino]propanamide
SMILESC/C(=N\NC(=O)CCC1CCCCC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H23N3O3/c1-13(15-8-5-9-16(12-15)20(22)23)18-19-17(21)11-10-14-6-3-2-4-7-14/h5,8-9,12,14H,2-4,6-7,10-11H2,1H3,(H,19,21)/b18-13+
InChIKeyTYAYGBQCLLFPFR-QGOAFFKASA-N
XLogP3.80
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.80
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 3-cyclohexyl-N-[(E)-1-(3-nitrophenyl)ethylideneamino]propanamide 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

4-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]-4-oxobutanoic acid
CID 3478000
N'-[1-(3-nitrophenyl)ethylideneamino]-N-phenylbutanediamide
CID 3495200
N,N'-bis[(Z)-1-(3-nitrophenyl)ethylideneamino]oxamide
CID 6310047
3-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide
CID 2790127
2-(4-ethylphenyl)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide
CID 126369200
N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-nitrobenzamide
CID 1358532
(1R,6R,7R)-1-methyl-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 98198110
2-(3,4-dimethylphenyl)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide
CID 4014223
2-(2,4-dimethylanilino)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide
CID 968312
1-[(1S,2R)-2-methylcyclohexyl]-3-[(Z)-1-(3-nitrophenyl)ethylideneamino]thiourea
CID 9122175
N'-[(Z)-1-(3-nitrophenyl)ethylideneamino]-N-propan-2-yloxamide
CID 9351495
2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide
CID 2875260

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[(E)-1-(3-nitrophenyl)ethylideneamino]propanamide?
The IUPAC name of 3-cyclohexyl-N-[(E)-1-(3-nitrophenyl)ethylideneamino]propanamide (CID 117071464) is 3-cyclohexyl-N-[(E)-1-(3-nitrophenyl)ethylideneamino]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[(E)-1-(3-nitrophenyl)ethylideneamino]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[(E)-1-(3-nitrophenyl)ethylideneamino]propanamide is C/C(=N\NC(=O)CCC1CCCCC1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-cyclohexyl-N-[(E)-1-(3-nitrophenyl)ethylideneamino]propanamide?
The InChIKey is TYAYGBQCLLFPFR-QGOAFFKASA-N. The full InChI is InChI=1S/C17H23N3O3/c1-13(15-8-5-9-16(12-15)20(22)23)18-19-17(21)11-10-14-6-3-2-4-7-14/h5,8-9,12,14H,2-4,6-7,10-11H2,1H3,(H,19,21)/b18-13+.
What are the key properties of 3-cyclohexyl-N-[(E)-1-(3-nitrophenyl)ethylideneamino]propanamide?
3-cyclohexyl-N-[(E)-1-(3-nitrophenyl)ethylideneamino]propanamide has a molecular weight of 317.39 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[(E)-1-(3-nitrophenyl)ethylideneamino]propanamide is sourced from PubChem (CID 117071464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).