3-hydroxy-N-[(1-methylcyclohexyl)methyl]-4-nitrobenzamide

C15H20N2O4 — CID 103756097

IUPAC3-hydroxy-N-[(1-methylcyclohexyl)methyl]-4-nitrobenzamide
SMILESCC1(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCCCC1
InChIInChI=1S/C15H20N2O4/c1-15(7-3-2-4-8-15)10-16-14(19)11-5-6-12(17(20)21)13(18)9-11/h5-6,9,18H,2-4,7-8,10H2,1H3,(H,16,19)
InChIKeyTYDKZCOZAMIXGX-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.00
Rot. Bonds4

About 3-hydroxy-N-[(1-methylcyclohexyl)methyl]-4-nitrobenzamide

3-hydroxy-N-[(1-methylcyclohexyl)methyl]-4-nitrobenzamide (PubChem CID 103756097) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-hydroxy-N-[(1-methylcyclohexyl)methyl]-4-nitrobenzamide.

Molecular Properties

Compound Name3-hydroxy-N-[(1-methylcyclohexyl)methyl]-4-nitrobenzamide
PubChem CID103756097
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name3-hydroxy-N-[(1-methylcyclohexyl)methyl]-4-nitrobenzamide
SMILESCC1(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCCCC1
InChIInChI=1S/C15H20N2O4/c1-15(7-3-2-4-8-15)10-16-14(19)11-5-6-12(17(20)21)13(18)9-11/h5-6,9,18H,2-4,7-8,10H2,1H3,(H,16,19)
InChIKeyTYDKZCOZAMIXGX-UHFFFAOYSA-N
XLogP3.00
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.00
H-Bond Donors ≤ 52
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

3-chloro-N-[(1-methylcyclobutyl)methyl]-4-nitrobenzamide
CID 103873304
4-chloro-N-[(1-methylcyclobutyl)methyl]-3-nitrobenzamide
CID 103738127
3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-nitrobenzamide
CID 103801674
4-fluoro-N-[(1-methylcyclopropyl)methyl]-3-nitrobenzamide
CID 103722148
5-chloro-N-[(1-methylcyclohexyl)methyl]-2-nitrobenzamide
CID 103753259
N-(cyclohexylmethyl)-3-hydroxy-4-nitrobenzamide
CID 17409199
N-[[1-(dimethylamino)cycloheptyl]methyl]-3-methyl-4-nitrobenzamide
CID 16960831
3-hydroxy-4-methoxy-N-[(1-methylcyclobutyl)methyl]benzamide
CID 103738245
3,5-dihydroxy-N-[(1-methylcyclohexyl)methyl]benzamide
CID 104939154
N-[(1-methylcyclohexyl)methyl]-4-sulfamoylbenzamide
CID 103754265
N-(4,4-dimethylcyclohexyl)-3-hydroxy-4-nitrobenzamide
CID 103711757
4,5-difluoro-N-[(1-methylcyclopentyl)methyl]-2-nitrobenzamide
CID 63820662

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(1-methylcyclohexyl)methyl]-4-nitrobenzamide?
The IUPAC name of 3-hydroxy-N-[(1-methylcyclohexyl)methyl]-4-nitrobenzamide (CID 103756097) is 3-hydroxy-N-[(1-methylcyclohexyl)methyl]-4-nitrobenzamide.
What is the SMILES notation for 3-hydroxy-N-[(1-methylcyclohexyl)methyl]-4-nitrobenzamide?
The canonical SMILES for 3-hydroxy-N-[(1-methylcyclohexyl)methyl]-4-nitrobenzamide is CC1(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCCCC1.
What is the InChIKey of 3-hydroxy-N-[(1-methylcyclohexyl)methyl]-4-nitrobenzamide?
The InChIKey is TYDKZCOZAMIXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-15(7-3-2-4-8-15)10-16-14(19)11-5-6-12(17(20)21)13(18)9-11/h5-6,9,18H,2-4,7-8,10H2,1H3,(H,16,19).
What are the key properties of 3-hydroxy-N-[(1-methylcyclohexyl)methyl]-4-nitrobenzamide?
3-hydroxy-N-[(1-methylcyclohexyl)methyl]-4-nitrobenzamide has a molecular weight of 292.33 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(1-methylcyclohexyl)methyl]-4-nitrobenzamide is sourced from PubChem (CID 103756097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).