N-cyclohexyl-4-methoxy-3-nitrobenzamide

C14H18N2O4 — CID 711599

IUPACN-cyclohexyl-4-methoxy-3-nitrobenzamide
SMILESCOc1ccc(C(=O)NC2CCCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H18N2O4/c1-20-13-8-7-10(9-12(13)16(18)19)14(17)15-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,15,17)
InChIKeyOCIHBYSAJKPYSI-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.67
Rot. Bonds4

About N-cyclohexyl-4-methoxy-3-nitrobenzamide

N-cyclohexyl-4-methoxy-3-nitrobenzamide (PubChem CID 711599) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-cyclohexyl-4-methoxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-methoxy-3-nitrobenzamide
PubChem CID711599
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-cyclohexyl-4-methoxy-3-nitrobenzamide
SMILESCOc1ccc(C(=O)NC2CCCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H18N2O4/c1-20-13-8-7-10(9-12(13)16(18)19)14(17)15-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,15,17)
InChIKeyOCIHBYSAJKPYSI-UHFFFAOYSA-N
XLogP2.67
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.67
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

N-(4-chlorocyclohexyl)-4-methoxy-3-nitrobenzamide
CID 114297314
4-methoxy-3-nitro-N-[(3S)-piperidin-3-yl]benzamide
CID 103866718
N-[2-(cycloheptylamino)ethyl]-4-methoxy-3-nitrobenzamide
CID 119620943
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
N-cyclohexyl-4-(cyclohexylamino)-3-nitrobenzamide
CID 2959407
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-[(4-methoxy-3-nitrobenzoyl)amino]acetate
CID 9363556
N-cyclohexyl-3-hydroxy-4-methoxybenzamide
CID 79600190
N-cyclohexyl-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 51254591
N-(azepan-4-yl)-3-methoxy-4-nitrobenzamide
CID 105061010
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-methoxy-3-nitrobenzamide
CID 94814193
3-chloro-N-cyclohexyl-4-methoxybenzamide
CID 56923251
4-amino-N-cyclopentyl-3-nitrobenzamide
CID 25466600

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-methoxy-3-nitrobenzamide?
The IUPAC name of N-cyclohexyl-4-methoxy-3-nitrobenzamide (CID 711599) is N-cyclohexyl-4-methoxy-3-nitrobenzamide.
What is the SMILES notation for N-cyclohexyl-4-methoxy-3-nitrobenzamide?
The canonical SMILES for N-cyclohexyl-4-methoxy-3-nitrobenzamide is COc1ccc(C(=O)NC2CCCCC2)cc1[N+](=O)[O-].
What is the InChIKey of N-cyclohexyl-4-methoxy-3-nitrobenzamide?
The InChIKey is OCIHBYSAJKPYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-20-13-8-7-10(9-12(13)16(18)19)14(17)15-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,15,17).
What are the key properties of N-cyclohexyl-4-methoxy-3-nitrobenzamide?
N-cyclohexyl-4-methoxy-3-nitrobenzamide has a molecular weight of 278.31 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-methoxy-3-nitrobenzamide is sourced from PubChem (CID 711599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).