N-(cyclohexylmethyl)-3-hydroxy-4-nitrobenzamide

C14H18N2O4 — CID 17409199

IUPACN-(cyclohexylmethyl)-3-hydroxy-4-nitrobenzamide
SMILESO=C(NCC1CCCCC1)c1ccc([N+](=O)[O-])c(O)c1
InChIInChI=1S/C14H18N2O4/c17-13-8-11(6-7-12(13)16(19)20)14(18)15-9-10-4-2-1-3-5-10/h6-8,10,17H,1-5,9H2,(H,15,18)
InChIKeySXWHJLXEZUZHDE-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.61
Rot. Bonds4

About N-(cyclohexylmethyl)-3-hydroxy-4-nitrobenzamide

N-(cyclohexylmethyl)-3-hydroxy-4-nitrobenzamide (PubChem CID 17409199) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-hydroxy-4-nitrobenzamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-hydroxy-4-nitrobenzamide
PubChem CID17409199
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-(cyclohexylmethyl)-3-hydroxy-4-nitrobenzamide
SMILESO=C(NCC1CCCCC1)c1ccc([N+](=O)[O-])c(O)c1
InChIInChI=1S/C14H18N2O4/c17-13-8-11(6-7-12(13)16(19)20)14(18)15-9-10-4-2-1-3-5-10/h6-8,10,17H,1-5,9H2,(H,15,18)
InChIKeySXWHJLXEZUZHDE-UHFFFAOYSA-N
XLogP2.61
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.61
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-(cyclobutylmethyl)-3-(methylamino)-4-nitrobenzamide
CID 62682663
3-hydroxy-4-nitro-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 38442258
N-(cyclobutylmethyl)-4-hydrazinyl-3-nitrobenzamide
CID 62242655
N-(cyclopropylmethyl)-3-hydrazinyl-4-nitrobenzamide
CID 62682327
N-(2,2-dicyclopropylethyl)-3-hydroxy-4-nitrobenzamide
CID 103711997
N-(cyclopropylmethyl)-4-fluoro-3-nitrobenzamide
CID 43244057
3-hydroxy-N-[(1-methylcyclohexyl)methyl]-4-nitrobenzamide
CID 103756097
N-(cyclopropylmethyl)-4-(methylamino)-3-nitrobenzamide
CID 33451394
N-[(3-hydroxycyclobutyl)methyl]-3-methyl-4-nitrobenzamide
CID 66004258
N-(cyclohexylmethyl)-3,4-dimethylbenzamide
CID 55349047
N-(cyclopentylmethyl)-5-(methylamino)-2-nitrobenzamide
CID 62168648
4-amino-3-nitro-N-(oxan-4-ylmethyl)benzamide
CID 62350667

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-hydroxy-4-nitrobenzamide?
The IUPAC name of N-(cyclohexylmethyl)-3-hydroxy-4-nitrobenzamide (CID 17409199) is N-(cyclohexylmethyl)-3-hydroxy-4-nitrobenzamide.
What is the SMILES notation for N-(cyclohexylmethyl)-3-hydroxy-4-nitrobenzamide?
The canonical SMILES for N-(cyclohexylmethyl)-3-hydroxy-4-nitrobenzamide is O=C(NCC1CCCCC1)c1ccc([N+](=O)[O-])c(O)c1.
What is the InChIKey of N-(cyclohexylmethyl)-3-hydroxy-4-nitrobenzamide?
The InChIKey is SXWHJLXEZUZHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-13-8-11(6-7-12(13)16(19)20)14(18)15-9-10-4-2-1-3-5-10/h6-8,10,17H,1-5,9H2,(H,15,18).
What are the key properties of N-(cyclohexylmethyl)-3-hydroxy-4-nitrobenzamide?
N-(cyclohexylmethyl)-3-hydroxy-4-nitrobenzamide has a molecular weight of 278.31 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-hydroxy-4-nitrobenzamide is sourced from PubChem (CID 17409199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).