2-amino-N-(4-ethylcyclohexyl)-3-nitrobenzamide

C15H21N3O3 — CID 115678620

IUPAC2-amino-N-(4-ethylcyclohexyl)-3-nitrobenzamide
SMILESCCC1CCC(NC(=O)c2cccc([N+](=O)[O-])c2N)CC1
InChIInChI=1S/C15H21N3O3/c1-2-10-6-8-11(9-7-10)17-15(19)12-4-3-5-13(14(12)16)18(20)21/h3-5,10-11H,2,6-9,16H2,1H3,(H,17,19)
InChIKeyBFPPFGAXMZNSMO-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.88
Rot. Bonds4

About 2-amino-N-(4-ethylcyclohexyl)-3-nitrobenzamide

2-amino-N-(4-ethylcyclohexyl)-3-nitrobenzamide (PubChem CID 115678620) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-amino-N-(4-ethylcyclohexyl)-3-nitrobenzamide.

Molecular Properties

Compound Name2-amino-N-(4-ethylcyclohexyl)-3-nitrobenzamide
PubChem CID115678620
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-amino-N-(4-ethylcyclohexyl)-3-nitrobenzamide
SMILESCCC1CCC(NC(=O)c2cccc([N+](=O)[O-])c2N)CC1
InChIInChI=1S/C15H21N3O3/c1-2-10-6-8-11(9-7-10)17-15(19)12-4-3-5-13(14(12)16)18(20)21/h3-5,10-11H,2,6-9,16H2,1H3,(H,17,19)
InChIKeyBFPPFGAXMZNSMO-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

tert-butyl N-[4-[(2-amino-3-nitrobenzoyl)amino]cyclohexyl]carbamate
CID 150638066
N-(4-aminocyclohexyl)-2-methyl-3-nitrobenzamide;hydrochloride
CID 119474933
(2-amino-3-nitrophenyl)-(4-ethylpiperidin-1-yl)methanone
CID 115678709
N-cyclopropyl-3-nitro-2-(propylamino)benzamide
CID 112580551
2-methyl-N-[4-(methylamino)cyclohexyl]-3-nitrobenzamide
CID 79117750
2-amino-3-nitro-N-(thian-3-yl)benzamide
CID 115679278
2-amino-N-(2,3-dimethylcyclopentyl)-3-nitrobenzamide
CID 115936836
(2-amino-3-nitrophenyl)-(4-ethylazepan-1-yl)methanone
CID 115679111
N-cyclopropyl-2-(cyclopropylamino)-3-nitrobenzamide
CID 67433398
2-amino-N-(2-methoxycyclopentyl)-3-nitrobenzamide
CID 115694309
2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-nitrobenzamide
CID 110000875
2-amino-3-nitro-N-octylbenzamide
CID 115936915

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-ethylcyclohexyl)-3-nitrobenzamide?
The IUPAC name of 2-amino-N-(4-ethylcyclohexyl)-3-nitrobenzamide (CID 115678620) is 2-amino-N-(4-ethylcyclohexyl)-3-nitrobenzamide.
What is the SMILES notation for 2-amino-N-(4-ethylcyclohexyl)-3-nitrobenzamide?
The canonical SMILES for 2-amino-N-(4-ethylcyclohexyl)-3-nitrobenzamide is CCC1CCC(NC(=O)c2cccc([N+](=O)[O-])c2N)CC1.
What is the InChIKey of 2-amino-N-(4-ethylcyclohexyl)-3-nitrobenzamide?
The InChIKey is BFPPFGAXMZNSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-10-6-8-11(9-7-10)17-15(19)12-4-3-5-13(14(12)16)18(20)21/h3-5,10-11H,2,6-9,16H2,1H3,(H,17,19).
What are the key properties of 2-amino-N-(4-ethylcyclohexyl)-3-nitrobenzamide?
2-amino-N-(4-ethylcyclohexyl)-3-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 2-amino-N-(4-ethylcyclohexyl)-3-nitrobenzamide is sourced from PubChem (CID 115678620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).