5-amino-N-(2-ethylcyclohexyl)-2-nitrobenzamide

C15H21N3O3 — CID 62185824

IUPAC5-amino-N-(2-ethylcyclohexyl)-2-nitrobenzamide
SMILESCCC1CCCCC1NC(=O)c1cc(N)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H21N3O3/c1-2-10-5-3-4-6-13(10)17-15(19)12-9-11(16)7-8-14(12)18(20)21/h7-10,13H,2-6,16H2,1H3,(H,17,19)
InChIKeyUHCPYJNEIUNPKQ-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.88
Rot. Bonds4

About 5-amino-N-(2-ethylcyclohexyl)-2-nitrobenzamide

5-amino-N-(2-ethylcyclohexyl)-2-nitrobenzamide (PubChem CID 62185824) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-amino-N-(2-ethylcyclohexyl)-2-nitrobenzamide.

Molecular Properties

Compound Name5-amino-N-(2-ethylcyclohexyl)-2-nitrobenzamide
PubChem CID62185824
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name5-amino-N-(2-ethylcyclohexyl)-2-nitrobenzamide
SMILESCCC1CCCCC1NC(=O)c1cc(N)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H21N3O3/c1-2-10-5-3-4-6-13(10)17-15(19)12-9-11(16)7-8-14(12)18(20)21/h7-10,13H,2-6,16H2,1H3,(H,17,19)
InChIKeyUHCPYJNEIUNPKQ-UHFFFAOYSA-N
XLogP2.88
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

5-amino-N-(2-methylcyclopentyl)-2-nitrobenzamide
CID 63279171
5-amino-N-(4-methylcyclohexyl)-2-nitrobenzamide
CID 62156540
5-amino-N-(2,2-dimethylcyclopentyl)-2-nitrobenzamide
CID 79873334
N-(2-aminocyclohexyl)-5-chloro-2-nitrobenzamide
CID 61037362
5-amino-N-(1-methylpiperidin-3-yl)-2-nitrobenzamide
CID 62160146
2-amino-4-bromo-N-(2-ethylcyclohexyl)benzamide
CID 79714631
5-hydroxy-N-(2-methylcycloheptyl)-2-nitrobenzamide
CID 107076139
N-[2-(hydroxymethyl)cyclopentyl]-2-nitrobenzamide
CID 103751348
5-amino-2-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106358647
2-amino-N-[2-(aminomethyl)cyclopentyl]-5-fluoro-3-nitrobenzamide;hydrochloride
CID 119602993
2-(3-aminophenyl)-N-(2-ethylcyclohexyl)acetamide
CID 55083950
5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-nitrobenzamide
CID 106098370

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-ethylcyclohexyl)-2-nitrobenzamide?
The IUPAC name of 5-amino-N-(2-ethylcyclohexyl)-2-nitrobenzamide (CID 62185824) is 5-amino-N-(2-ethylcyclohexyl)-2-nitrobenzamide.
What is the SMILES notation for 5-amino-N-(2-ethylcyclohexyl)-2-nitrobenzamide?
The canonical SMILES for 5-amino-N-(2-ethylcyclohexyl)-2-nitrobenzamide is CCC1CCCCC1NC(=O)c1cc(N)ccc1[N+](=O)[O-].
What is the InChIKey of 5-amino-N-(2-ethylcyclohexyl)-2-nitrobenzamide?
The InChIKey is UHCPYJNEIUNPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-10-5-3-4-6-13(10)17-15(19)12-9-11(16)7-8-14(12)18(20)21/h7-10,13H,2-6,16H2,1H3,(H,17,19).
What are the key properties of 5-amino-N-(2-ethylcyclohexyl)-2-nitrobenzamide?
5-amino-N-(2-ethylcyclohexyl)-2-nitrobenzamide has a molecular weight of 291.35 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-ethylcyclohexyl)-2-nitrobenzamide is sourced from PubChem (CID 62185824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).