N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-4-nitrobenzamide

C15H21N3O3 — CID 54037439

IUPACN-[(1R,2R)-2-(dimethylamino)cyclohexyl]-4-nitrobenzamide
SMILESCN(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H21N3O3/c1-17(2)14-6-4-3-5-13(14)16-15(19)11-7-9-12(10-8-11)18(20)21/h7-10,13-14H,3-6H2,1-2H3,(H,16,19)/t13-,14-/m1/s1
InChIKeyLJYQHCKAUGEVMA-ZIAGYGMSSA-N
MW291.35 g/mol
LogP2.20
Rot. Bonds4

About N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-4-nitrobenzamide

N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-4-nitrobenzamide (PubChem CID 54037439) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(dimethylamino)cyclohexyl]-4-nitrobenzamide
PubChem CID54037439
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[(1R,2R)-2-(dimethylamino)cyclohexyl]-4-nitrobenzamide
SMILESCN(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H21N3O3/c1-17(2)14-6-4-3-5-13(14)16-15(19)11-7-9-12(10-8-11)18(20)21/h7-10,13-14H,3-6H2,1-2H3,(H,16,19)/t13-,14-/m1/s1
InChIKeyLJYQHCKAUGEVMA-ZIAGYGMSSA-N
XLogP2.20
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-acetyl-N-[2-(dimethylamino)cyclohexyl]benzamide
CID 23349769
4-bromo-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]benzamide
CID 6328449
4-bromo-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]benzamide;hydrochloride
CID 165362467
N-[(1S,2S)-2-hydroxycyclopentyl]-4-nitrobenzamide
CID 95562447
N-[2-(dimethylamino)cyclohexyl]-4-(trifluoromethyl)benzamide
CID 23349714
N-(2,3-dimethylcyclohexyl)-4-nitrobenzamide
CID 3684866
N-[2-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-4-nitrobenzamide
CID 22344770
N-cyclododecyl-4-nitrobenzamide
CID 19168070
1-[(1S,2S)-2-(dimethylamino)cyclohexyl]-3-[(1S,2S)-2-[(4-nitrophenyl)sulfonylamino]cyclohexyl]thiourea
CID 59052887
N-[2-(dimethylamino)cyclohexyl]-4-(2,2,2-trifluoroethyl)benzamide
CID 70592375
N-[(1R,2R)-2-azidocycloheptyl]-4-nitrobenzamide
CID 102037484
5-(2-chloro-4-nitrophenyl)-N-[(1R,2S)-2-(dimethylamino)cyclopentyl]furan-2-carboxamide
CID 95776761

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-4-nitrobenzamide?
The IUPAC name of N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-4-nitrobenzamide (CID 54037439) is N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-4-nitrobenzamide.
What is the SMILES notation for N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-4-nitrobenzamide?
The canonical SMILES for N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-4-nitrobenzamide is CN(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-4-nitrobenzamide?
The InChIKey is LJYQHCKAUGEVMA-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-17(2)14-6-4-3-5-13(14)16-15(19)11-7-9-12(10-8-11)18(20)21/h7-10,13-14H,3-6H2,1-2H3,(H,16,19)/t13-,14-/m1/s1.
What are the key properties of N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-4-nitrobenzamide?
N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-4-nitrobenzamide has a molecular weight of 291.35 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-4-nitrobenzamide is sourced from PubChem (CID 54037439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).