N-(1-aminohexan-2-yl)-3-nitrobenzamide

C13H19N3O3 — CID 80698081

IUPACN-(1-aminohexan-2-yl)-3-nitrobenzamide
SMILESCCCCC(CN)NC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H19N3O3/c1-2-3-6-11(9-14)15-13(17)10-5-4-7-12(8-10)16(18)19/h4-5,7-8,11H,2-3,6,9,14H2,1H3,(H,15,17)
InChIKeyNGSUIACYEBKULG-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.84
Rot. Bonds7

About N-(1-aminohexan-2-yl)-3-nitrobenzamide

N-(1-aminohexan-2-yl)-3-nitrobenzamide (PubChem CID 80698081) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-3-nitrobenzamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-3-nitrobenzamide
PubChem CID80698081
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-(1-aminohexan-2-yl)-3-nitrobenzamide
SMILESCCCCC(CN)NC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H19N3O3/c1-2-3-6-11(9-14)15-13(17)10-5-4-7-12(8-10)16(18)19/h4-5,7-8,11H,2-3,6,9,14H2,1H3,(H,15,17)
InChIKeyNGSUIACYEBKULG-UHFFFAOYSA-N
XLogP1.84
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.84
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

3-N-(1-aminohexan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride
CID 119668834
3-N-(1-aminohexan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119667555
N-(1-aminohexan-2-yl)-3-methylbenzamide;hydrochloride
CID 119667380
N-(1-aminohexan-2-yl)-3-chlorobenzamide;hydrochloride
CID 119667644
N-(1-aminohexan-2-yl)-2-methyl-4-nitrobenzamide;hydrochloride
CID 119667141
N-(1-aminohexan-2-yl)-5-methyl-1-(3-nitrophenyl)triazole-4-carboxamide
CID 119667499
N-(1-aminohexan-2-yl)-3-methyl-2-nitrobenzamide
CID 80696935
N-(1-aminohexan-2-yl)-1-ethyl-4-nitropyrrole-2-carboxamide
CID 80696485
N-(1-aminohexan-2-yl)-3H-benzimidazole-5-carboxamide
CID 80698335
N-[2-(heptan-2-ylamino)-2-oxoethyl]-3-nitrobenzamide
CID 51185717
N-(1-hydroxypropan-2-yl)-3-nitrobenzamide
CID 18712222
N-(1-aminohexan-2-yl)-1H-indole-5-carboxamide
CID 80697182

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-3-nitrobenzamide?
The IUPAC name of N-(1-aminohexan-2-yl)-3-nitrobenzamide (CID 80698081) is N-(1-aminohexan-2-yl)-3-nitrobenzamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-3-nitrobenzamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-3-nitrobenzamide is CCCCC(CN)NC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(1-aminohexan-2-yl)-3-nitrobenzamide?
The InChIKey is NGSUIACYEBKULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-3-6-11(9-14)15-13(17)10-5-4-7-12(8-10)16(18)19/h4-5,7-8,11H,2-3,6,9,14H2,1H3,(H,15,17).
What are the key properties of N-(1-aminohexan-2-yl)-3-nitrobenzamide?
N-(1-aminohexan-2-yl)-3-nitrobenzamide has a molecular weight of 265.31 g/mol, XLogP of 1.84, 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)-3-nitrobenzamide is sourced from PubChem (CID 80698081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).