N-(1-aminohexan-2-yl)-2-methyl-4-nitrobenzamide;hydrochloride

C14H22ClN3O3 — CID 119667141

IUPACN-(1-aminohexan-2-yl)-2-methyl-4-nitrobenzamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1ccc([N+](=O)[O-])cc1C.Cl
InChIInChI=1S/C14H21N3O3.ClH/c1-3-4-5-11(9-15)16-14(18)13-7-6-12(17(19)20)8-10(13)2;/h6-8,11H,3-5,9,15H2,1-2H3,(H,16,18);1H
InChIKeyDXKIDURRIADDNU-UHFFFAOYSA-N
MW315.80 g/mol
LogP2.57
Rot. Bonds7

About N-(1-aminohexan-2-yl)-2-methyl-4-nitrobenzamide;hydrochloride

N-(1-aminohexan-2-yl)-2-methyl-4-nitrobenzamide;hydrochloride (PubChem CID 119667141) has the molecular formula C14H22ClN3O3 and a molecular weight of 315.80 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-methyl-4-nitrobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-methyl-4-nitrobenzamide;hydrochloride
PubChem CID119667141
Molecular FormulaC14H22ClN3O3
Molecular Weight315.80 g/mol
Exact Mass315.13
IUPAC NameN-(1-aminohexan-2-yl)-2-methyl-4-nitrobenzamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1ccc([N+](=O)[O-])cc1C.Cl
InChIInChI=1S/C14H21N3O3.ClH/c1-3-4-5-11(9-15)16-14(18)13-7-6-12(17(19)20)8-10(13)2;/h6-8,11H,3-5,9,15H2,1-2H3,(H,16,18);1H
InChIKeyDXKIDURRIADDNU-UHFFFAOYSA-N
XLogP2.57
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 52.57
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-(1-aminohexan-2-yl)-3-nitrobenzamide
CID 80698081
N-(1-aminohexan-2-yl)-3-methyl-2-nitrobenzamide
CID 80696935
N-(1-aminohexan-2-yl)-5-methoxy-2-nitrobenzamide
CID 119665416
N-(1-aminohexan-2-yl)-3-chloro-2-nitrobenzamide;hydrochloride
CID 119666314
N-(1-aminohexan-2-yl)-1-ethyl-4-nitropyrrole-2-carboxamide
CID 80696485
N-(1-aminohexan-2-yl)-2,6-dimethylpyridine-3-carboxamide;dihydrochloride
CID 119667886
N-(1-aminohexan-2-yl)-4-chloro-2-fluorobenzamide;hydrochloride
CID 119665363
N-(1-aminohexan-2-yl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide;hydrochloride
CID 119668173
N-(1-aminohexan-2-yl)-5-methyl-1-(3-nitrophenyl)triazole-4-carboxamide
CID 119667499
N-[(2S)-1-aminopropan-2-yl]-2-methyl-5-nitrobenzamide;hydrochloride
CID 120509207
N-(1-aminohexan-2-yl)-2-bromo-5-methylbenzamide
CID 81112560
N-(1-aminohexan-2-yl)-2,4-difluorobenzamide
CID 80698461

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-methyl-4-nitrobenzamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-2-methyl-4-nitrobenzamide;hydrochloride (CID 119667141) is N-(1-aminohexan-2-yl)-2-methyl-4-nitrobenzamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-methyl-4-nitrobenzamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-methyl-4-nitrobenzamide;hydrochloride is CCCCC(CN)NC(=O)c1ccc([N+](=O)[O-])cc1C.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-methyl-4-nitrobenzamide;hydrochloride?
The InChIKey is DXKIDURRIADDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3.ClH/c1-3-4-5-11(9-15)16-14(18)13-7-6-12(17(19)20)8-10(13)2;/h6-8,11H,3-5,9,15H2,1-2H3,(H,16,18);1H.
What are the key properties of N-(1-aminohexan-2-yl)-2-methyl-4-nitrobenzamide;hydrochloride?
N-(1-aminohexan-2-yl)-2-methyl-4-nitrobenzamide;hydrochloride has a molecular weight of 315.80 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-methyl-4-nitrobenzamide;hydrochloride is sourced from PubChem (CID 119667141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).