N-(4,4-dimethylcyclohexyl)-3-hydroxy-4-nitrobenzamide

C15H20N2O4 — CID 103711757

IUPACN-(4,4-dimethylcyclohexyl)-3-hydroxy-4-nitrobenzamide
SMILESCC1(C)CCC(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1
InChIInChI=1S/C15H20N2O4/c1-15(2)7-5-11(6-8-15)16-14(19)10-3-4-12(17(20)21)13(18)9-10/h3-4,9,11,18H,5-8H2,1-2H3,(H,16,19)
InChIKeyMFKSEMDDJUXDIS-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.00
Rot. Bonds3

About N-(4,4-dimethylcyclohexyl)-3-hydroxy-4-nitrobenzamide

N-(4,4-dimethylcyclohexyl)-3-hydroxy-4-nitrobenzamide (PubChem CID 103711757) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(4,4-dimethylcyclohexyl)-3-hydroxy-4-nitrobenzamide.

Molecular Properties

Compound NameN-(4,4-dimethylcyclohexyl)-3-hydroxy-4-nitrobenzamide
PubChem CID103711757
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC NameN-(4,4-dimethylcyclohexyl)-3-hydroxy-4-nitrobenzamide
SMILESCC1(C)CCC(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1
InChIInChI=1S/C15H20N2O4/c1-15(2)7-5-11(6-8-15)16-14(19)10-3-4-12(17(20)21)13(18)9-10/h3-4,9,11,18H,5-8H2,1-2H3,(H,16,19)
InChIKeyMFKSEMDDJUXDIS-UHFFFAOYSA-N
XLogP3.00
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
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

N-(2,2-dimethyloxan-4-yl)-3-hydroxy-4-nitrobenzamide
CID 103846992
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-hydroxy-4-nitrobenzamide
CID 102554705
3-hydroxy-N-[(1-methylcyclohexyl)methyl]-4-nitrobenzamide
CID 103756097
4-amino-N-cyclopentyl-3-nitrobenzamide
CID 25466600
3-[(3,3-dimethylcyclopentyl)amino]-4-nitrobenzoic acid
CID 114541271
N-(2-ethylsulfanylcyclopentyl)-3-hydroxy-4-nitrobenzamide
CID 103747794
N-(4-aminocyclohexyl)-3-methyl-4-nitrobenzamide;hydrochloride
CID 119476972
3-hydroxy-4-nitro-N-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]benzamide
CID 99833611
N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-3-hydroxy-4-nitrobenzamide
CID 99695661
N-cyclopropyl-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-nitrobenzamide
CID 133410674
4-chloro-N-cyclobutyl-3-nitrobenzamide
CID 62415356
4-bromo-3-chloro-N-(4,4-dimethylcyclohexyl)benzamide
CID 81308376

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylcyclohexyl)-3-hydroxy-4-nitrobenzamide?
The IUPAC name of N-(4,4-dimethylcyclohexyl)-3-hydroxy-4-nitrobenzamide (CID 103711757) is N-(4,4-dimethylcyclohexyl)-3-hydroxy-4-nitrobenzamide.
What is the SMILES notation for N-(4,4-dimethylcyclohexyl)-3-hydroxy-4-nitrobenzamide?
The canonical SMILES for N-(4,4-dimethylcyclohexyl)-3-hydroxy-4-nitrobenzamide is CC1(C)CCC(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1.
What is the InChIKey of N-(4,4-dimethylcyclohexyl)-3-hydroxy-4-nitrobenzamide?
The InChIKey is MFKSEMDDJUXDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-15(2)7-5-11(6-8-15)16-14(19)10-3-4-12(17(20)21)13(18)9-10/h3-4,9,11,18H,5-8H2,1-2H3,(H,16,19).
What are the key properties of N-(4,4-dimethylcyclohexyl)-3-hydroxy-4-nitrobenzamide?
N-(4,4-dimethylcyclohexyl)-3-hydroxy-4-nitrobenzamide has a molecular weight of 292.34 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylcyclohexyl)-3-hydroxy-4-nitrobenzamide is sourced from PubChem (CID 103711757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).