N-(1-aminohexan-2-yl)-5-methoxy-2-nitrobenzamide

C14H21N3O4 — CID 119665416

IUPACN-(1-aminohexan-2-yl)-5-methoxy-2-nitrobenzamide
SMILESCCCCC(CN)NC(=O)c1cc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O4/c1-3-4-5-10(9-15)16-14(18)12-8-11(21-2)6-7-13(12)17(19)20/h6-8,10H,3-5,9,15H2,1-2H3,(H,16,18)
InChIKeyZTSYBUBXHDSYBG-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.85
Rot. Bonds8

About N-(1-aminohexan-2-yl)-5-methoxy-2-nitrobenzamide

N-(1-aminohexan-2-yl)-5-methoxy-2-nitrobenzamide (PubChem CID 119665416) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-5-methoxy-2-nitrobenzamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-5-methoxy-2-nitrobenzamide
PubChem CID119665416
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC NameN-(1-aminohexan-2-yl)-5-methoxy-2-nitrobenzamide
SMILESCCCCC(CN)NC(=O)c1cc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O4/c1-3-4-5-10(9-15)16-14(18)12-8-11(21-2)6-7-13(12)17(19)20/h6-8,10H,3-5,9,15H2,1-2H3,(H,16,18)
InChIKeyZTSYBUBXHDSYBG-UHFFFAOYSA-N
XLogP1.85
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.85
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

(2S)-2-[(5-methoxy-2-nitrobenzoyl)amino]propanoic acid
CID 119238250
N-(1-aminohexan-2-yl)-2-methyl-4-nitrobenzamide;hydrochloride
CID 119667141
N-(1-aminohexan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide
CID 119992979
4,5-dimethoxy-2-nitro-N-octan-3-ylbenzamide
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N-(1-aminohexan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide;hydrochloride
CID 119992978
5-methoxy-N-[4-[(5-methoxy-2-nitrobenzoyl)amino]phenyl]-2-nitrobenzamide
CID 131864696
N-(1-aminohexan-2-yl)-3-nitrobenzamide
CID 80698081
N-(1-aminohexan-2-yl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide
CID 119667175
N-(1-aminohexan-2-yl)-3-chloro-2-nitrobenzamide;hydrochloride
CID 119666314
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CID 119664823
N-heptan-3-yl-4-methoxy-2-nitroaniline
CID 63947328

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-5-methoxy-2-nitrobenzamide?
The IUPAC name of N-(1-aminohexan-2-yl)-5-methoxy-2-nitrobenzamide (CID 119665416) is N-(1-aminohexan-2-yl)-5-methoxy-2-nitrobenzamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-5-methoxy-2-nitrobenzamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-5-methoxy-2-nitrobenzamide is CCCCC(CN)NC(=O)c1cc(OC)ccc1[N+](=O)[O-].
What is the InChIKey of N-(1-aminohexan-2-yl)-5-methoxy-2-nitrobenzamide?
The InChIKey is ZTSYBUBXHDSYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-3-4-5-10(9-15)16-14(18)12-8-11(21-2)6-7-13(12)17(19)20/h6-8,10H,3-5,9,15H2,1-2H3,(H,16,18).
What are the key properties of N-(1-aminohexan-2-yl)-5-methoxy-2-nitrobenzamide?
N-(1-aminohexan-2-yl)-5-methoxy-2-nitrobenzamide has a molecular weight of 295.34 g/mol, XLogP of 1.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-5-methoxy-2-nitrobenzamide is sourced from PubChem (CID 119665416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).