N-(6-aminohexyl)-2-methyl-3-nitrobenzamide

C14H21N3O3 — CID 108786358

IUPACN-(6-aminohexyl)-2-methyl-3-nitrobenzamide
SMILESCc1c(C(=O)NCCCCCCN)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O3/c1-11-12(7-6-8-13(11)17(19)20)14(18)16-10-5-3-2-4-9-15/h6-8H,2-5,9-10,15H2,1H3,(H,16,18)
InChIKeyHDIZCTRGLPDVRI-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.15
Rot. Bonds8

About N-(6-aminohexyl)-2-methyl-3-nitrobenzamide

N-(6-aminohexyl)-2-methyl-3-nitrobenzamide (PubChem CID 108786358) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(6-aminohexyl)-2-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-2-methyl-3-nitrobenzamide
PubChem CID108786358
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-(6-aminohexyl)-2-methyl-3-nitrobenzamide
SMILESCc1c(C(=O)NCCCCCCN)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O3/c1-11-12(7-6-8-13(11)17(19)20)14(18)16-10-5-3-2-4-9-15/h6-8H,2-5,9-10,15H2,1H3,(H,16,18)
InChIKeyHDIZCTRGLPDVRI-UHFFFAOYSA-N
XLogP2.15
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(6-aminohexyl)-2-methyl-3-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-aminobutyl)-2-methyl-3-nitrobenzamide
CID 60895227
2-methyl-3-nitro-N-nonylbenzamide
CID 4171333
methyl 6-[(2-methyl-3-nitrobenzoyl)amino]hexanoate
CID 31541051
N-(3-methoxypropyl)-2-methyl-3-nitrobenzamide
CID 2223736
2-methyl-N-[[(2-methyl-3-nitrobenzoyl)amino]methyl]-3-nitrobenzamide
CID 134843322
N-(4-bromopentyl)-2-methyl-3-nitrobenzamide
CID 106130405
N-(3-ethoxypropyl)-2-methyl-3-nitrobenzamide
CID 2172330
2-amino-3-nitro-N-octylbenzamide
CID 115936915
2-methyl-3-nitro-N-[(E)-pent-3-enyl]benzamide
CID 115628231
2-hydroxy-3-nitro-N-octylbenzamide
CID 107076295
6-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]propyl]pyridine-3-carboxamide
CID 8990949
N-(3,3-diphenylpropyl)-2-methyl-3-nitrobenzamide
CID 4257835

Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-2-methyl-3-nitrobenzamide?
The IUPAC name of N-(6-aminohexyl)-2-methyl-3-nitrobenzamide (CID 108786358) is N-(6-aminohexyl)-2-methyl-3-nitrobenzamide.
What is the SMILES notation for N-(6-aminohexyl)-2-methyl-3-nitrobenzamide?
The canonical SMILES for N-(6-aminohexyl)-2-methyl-3-nitrobenzamide is Cc1c(C(=O)NCCCCCCN)cccc1[N+](=O)[O-].
What is the InChIKey of N-(6-aminohexyl)-2-methyl-3-nitrobenzamide?
The InChIKey is HDIZCTRGLPDVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-11-12(7-6-8-13(11)17(19)20)14(18)16-10-5-3-2-4-9-15/h6-8H,2-5,9-10,15H2,1H3,(H,16,18).
What are the key properties of N-(6-aminohexyl)-2-methyl-3-nitrobenzamide?
N-(6-aminohexyl)-2-methyl-3-nitrobenzamide has a molecular weight of 279.34 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-2-methyl-3-nitrobenzamide is sourced from PubChem (CID 108786358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).