N-(2-amino-1-cyclohexylethyl)-2-methoxy-5-nitrobenzamide;hydrochloride

C16H24ClN3O4 — CID 119591922

IUPACN-(2-amino-1-cyclohexylethyl)-2-methoxy-5-nitrobenzamide;hydrochloride
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)NC(CN)C1CCCCC1.Cl
InChIInChI=1S/C16H23N3O4.ClH/c1-23-15-8-7-12(19(21)22)9-13(15)16(20)18-14(10-17)11-5-3-2-4-6-11;/h7-9,11,14H,2-6,10,17H2,1H3,(H,18,20);1H
InChIKeyWKYLLPJHLWHQAJ-UHFFFAOYSA-N
MW357.84 g/mol
LogP2.66
Rot. Bonds6

About N-(2-amino-1-cyclohexylethyl)-2-methoxy-5-nitrobenzamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-2-methoxy-5-nitrobenzamide;hydrochloride (PubChem CID 119591922) has the molecular formula C16H24ClN3O4 and a molecular weight of 357.84 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2-methoxy-5-nitrobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2-methoxy-5-nitrobenzamide;hydrochloride
PubChem CID119591922
Molecular FormulaC16H24ClN3O4
Molecular Weight357.84 g/mol
Exact Mass357.15
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2-methoxy-5-nitrobenzamide;hydrochloride
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)NC(CN)C1CCCCC1.Cl
InChIInChI=1S/C16H23N3O4.ClH/c1-23-15-8-7-12(19(21)22)9-13(15)16(20)18-14(10-17)11-5-3-2-4-6-11;/h7-9,11,14H,2-6,10,17H2,1H3,(H,18,20);1H
InChIKeyWKYLLPJHLWHQAJ-UHFFFAOYSA-N
XLogP2.66
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 52.66
H-Bond Donors ≤ 52
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-(2-amino-1-cyclopropylethyl)-2-methoxy-4-nitrobenzamide
CID 104783824
N-(2-amino-1-cyclohexylethyl)-4,5-dimethoxy-2-nitrobenzamide
CID 119591240
N-(2-amino-1-cyclohexylethyl)-4-methoxy-3-nitrobenzamide;hydrochloride
CID 119591436
N-(2-amino-1-cyclohexylethyl)-2-methyl-5-nitropyridine-3-carboxamide;hydrochloride
CID 119591180
N-(2-amino-1-cyclohexylethyl)-5-nitro-1-benzothiophene-2-carboxamide
CID 119590036
N-(2-amino-1-cyclopropylethyl)-5-(diethylsulfamoyl)-2-methoxybenzamide;hydrochloride
CID 119615087
N-(2-amino-1-cyclohexylethyl)-2,3-dimethoxybenzamide;hydrochloride
CID 119591832
N-cyclopropyl-2-methoxy-5-nitrobenzamide
CID 9210144
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-5-nitrobenzamide
CID 104927344
N-(2-amino-1-cyclopentylethyl)-4-chloro-2-methoxybenzamide
CID 106737554
N-(2-amino-1-cyclohexylethyl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride
CID 119592013
N-(2-amino-1-cyclohexylethyl)-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetamide
CID 119589146

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-methoxy-5-nitrobenzamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-methoxy-5-nitrobenzamide;hydrochloride (CID 119591922) is N-(2-amino-1-cyclohexylethyl)-2-methoxy-5-nitrobenzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2-methoxy-5-nitrobenzamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2-methoxy-5-nitrobenzamide;hydrochloride is COc1ccc([N+](=O)[O-])cc1C(=O)NC(CN)C1CCCCC1.Cl.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2-methoxy-5-nitrobenzamide;hydrochloride?
The InChIKey is WKYLLPJHLWHQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4.ClH/c1-23-15-8-7-12(19(21)22)9-13(15)16(20)18-14(10-17)11-5-3-2-4-6-11;/h7-9,11,14H,2-6,10,17H2,1H3,(H,18,20);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2-methoxy-5-nitrobenzamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-2-methoxy-5-nitrobenzamide;hydrochloride has a molecular weight of 357.84 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-2-methoxy-5-nitrobenzamide;hydrochloride is sourced from PubChem (CID 119591922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).