N-(4-hydroxycyclohexyl)-2-(methylamino)-5-nitrobenzamide

C14H19N3O4 — CID 60656170

IUPACN-(4-hydroxycyclohexyl)-2-(methylamino)-5-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])cc1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C14H19N3O4/c1-15-13-7-4-10(17(20)21)8-12(13)14(19)16-9-2-5-11(18)6-3-9/h4,7-9,11,15,18H,2-3,5-6H2,1H3,(H,16,19)
InChIKeyJGPPDIDYRLRZHE-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.67
Rot. Bonds4

About N-(4-hydroxycyclohexyl)-2-(methylamino)-5-nitrobenzamide

N-(4-hydroxycyclohexyl)-2-(methylamino)-5-nitrobenzamide (PubChem CID 60656170) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2-(methylamino)-5-nitrobenzamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2-(methylamino)-5-nitrobenzamide
PubChem CID60656170
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC NameN-(4-hydroxycyclohexyl)-2-(methylamino)-5-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])cc1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C14H19N3O4/c1-15-13-7-4-10(17(20)21)8-12(13)14(19)16-9-2-5-11(18)6-3-9/h4,7-9,11,15,18H,2-3,5-6H2,1H3,(H,16,19)
InChIKeyJGPPDIDYRLRZHE-UHFFFAOYSA-N
XLogP1.67
TPSA104.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-hydroxycyclohexyl)-2-iodo-5-nitrobenzamide
CID 43317546
2-(dimethylamino)-N-(4-hydroxycyclohexyl)-5-nitrobenzamide
CID 78767627
2-chloro-N-[4-(methylamino)cyclohexyl]-5-nitrobenzamide
CID 79117755
N-cyclopentyl-2-hydrazinyl-5-nitrobenzamide
CID 62238321
N-cyclobutyl-2-(ethylamino)-5-nitrobenzamide
CID 62414267
N-(3-cyclopropylpropyl)-2-(methylamino)-5-nitrobenzamide
CID 115635942
N-cyclopropyl-2-methoxy-5-nitrobenzamide
CID 9210144
N-(1-cyclopropylethyl)-2-(methylamino)-5-nitrobenzamide
CID 47113861
N-(4-hydroxycyclohexyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 78767414
2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide
CID 141015249
2-(ethylamino)-5-nitro-N-(oxan-4-yl)benzamide
CID 62170102
2-(methylamino)-N-[(2-methylcyclopentyl)methyl]-5-nitrobenzamide
CID 107420613

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2-(methylamino)-5-nitrobenzamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-2-(methylamino)-5-nitrobenzamide (CID 60656170) is N-(4-hydroxycyclohexyl)-2-(methylamino)-5-nitrobenzamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2-(methylamino)-5-nitrobenzamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2-(methylamino)-5-nitrobenzamide is CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CCC(O)CC1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2-(methylamino)-5-nitrobenzamide?
The InChIKey is JGPPDIDYRLRZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-15-13-7-4-10(17(20)21)8-12(13)14(19)16-9-2-5-11(18)6-3-9/h4,7-9,11,15,18H,2-3,5-6H2,1H3,(H,16,19).
What are the key properties of N-(4-hydroxycyclohexyl)-2-(methylamino)-5-nitrobenzamide?
N-(4-hydroxycyclohexyl)-2-(methylamino)-5-nitrobenzamide has a molecular weight of 293.32 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2-(methylamino)-5-nitrobenzamide is sourced from PubChem (CID 60656170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).