N-[(1R,2R)-2-hydroxycyclohexyl]-N,2-dimethyl-3-nitrobenzamide

C15H20N2O4 — CID 19061815

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]-N,2-dimethyl-3-nitrobenzamide
SMILESCc1c(C(=O)N(C)[C@@H]2CCCC[C@H]2O)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H20N2O4/c1-10-11(6-5-8-12(10)17(20)21)15(19)16(2)13-7-3-4-9-14(13)18/h5-6,8,13-14,18H,3-4,7,9H2,1-2H3/t13-,14-/m1/s1
InChIKeyYOHDKAHTIUPDAJ-ZIAGYGMSSA-N
MW292.33 g/mol
LogP2.28
Rot. Bonds3

About N-[(1R,2R)-2-hydroxycyclohexyl]-N,2-dimethyl-3-nitrobenzamide

N-[(1R,2R)-2-hydroxycyclohexyl]-N,2-dimethyl-3-nitrobenzamide (PubChem CID 19061815) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclohexyl]-N,2-dimethyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]-N,2-dimethyl-3-nitrobenzamide
PubChem CID19061815
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]-N,2-dimethyl-3-nitrobenzamide
SMILESCc1c(C(=O)N(C)[C@@H]2CCCC[C@H]2O)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H20N2O4/c1-10-11(6-5-8-12(10)17(20)21)15(19)16(2)13-7-3-4-9-14(13)18/h5-6,8,13-14,18H,3-4,7,9H2,1-2H3/t13-,14-/m1/s1
InChIKeyYOHDKAHTIUPDAJ-ZIAGYGMSSA-N
XLogP2.28
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.28
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-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-N-methylbenzamide
CID 19916383
2-chloro-N-cyclopentyl-N-methyl-3-nitrobenzamide
CID 112576264
N-(2-hydroxycyclohexyl)-N-methyl-5-nitrothiophene-2-carboxamide
CID 102634684
N-(3-bromopropyl)-N-cyclobutyl-2-methyl-3-nitrobenzamide
CID 102872460
N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-methylsulfanylbenzamide
CID 19798383
N-(2-hydroxycyclohexyl)-N,1-dimethyl-5-nitropyrrole-2-carboxamide
CID 102634739
N-(2-hydroxycyclohexyl)-N-methyl-5-nitro-1H-pyrrole-2-carboxamide
CID 102634964
N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-nitrobenzenesulfonamide
CID 19916369
N-(4-hydroxyphenyl)-N,2-dimethyl-3-nitrobenzamide
CID 28739109
N-(2-bromoethyl)-N,2-dimethyl-3-nitrobenzamide
CID 80659716
N-(2-hydroxycyclohexyl)-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 102635297
2-[carboxymethyl-(2-methyl-3-nitrobenzoyl)amino]acetic acid
CID 63646247

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-N,2-dimethyl-3-nitrobenzamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-N,2-dimethyl-3-nitrobenzamide (CID 19061815) is N-[(1R,2R)-2-hydroxycyclohexyl]-N,2-dimethyl-3-nitrobenzamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]-N,2-dimethyl-3-nitrobenzamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]-N,2-dimethyl-3-nitrobenzamide is Cc1c(C(=O)N(C)[C@@H]2CCCC[C@H]2O)cccc1[N+](=O)[O-].
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]-N,2-dimethyl-3-nitrobenzamide?
The InChIKey is YOHDKAHTIUPDAJ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10-11(6-5-8-12(10)17(20)21)15(19)16(2)13-7-3-4-9-14(13)18/h5-6,8,13-14,18H,3-4,7,9H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]-N,2-dimethyl-3-nitrobenzamide?
N-[(1R,2R)-2-hydroxycyclohexyl]-N,2-dimethyl-3-nitrobenzamide has a molecular weight of 292.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclohexyl]-N,2-dimethyl-3-nitrobenzamide is sourced from PubChem (CID 19061815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).