N-hexyl-3-methyl-2-nitrobenzamide

C14H20N2O3 — CID 4603212

IUPACN-hexyl-3-methyl-2-nitrobenzamide
SMILESCCCCCCNC(=O)c1cccc(C)c1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O3/c1-3-4-5-6-10-15-14(17)12-9-7-8-11(2)13(12)16(18)19/h7-9H,3-6,10H2,1-2H3,(H,15,17)
InChIKeyUQZHQESBTURPOS-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.21
Rot. Bonds7

About N-hexyl-3-methyl-2-nitrobenzamide

N-hexyl-3-methyl-2-nitrobenzamide (PubChem CID 4603212) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-hexyl-3-methyl-2-nitrobenzamide.

Molecular Properties

Compound NameN-hexyl-3-methyl-2-nitrobenzamide
PubChem CID4603212
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-hexyl-3-methyl-2-nitrobenzamide
SMILESCCCCCCNC(=O)c1cccc(C)c1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O3/c1-3-4-5-6-10-15-14(17)12-9-7-8-11(2)13(12)16(18)19/h7-9H,3-6,10H2,1-2H3,(H,15,17)
InChIKeyUQZHQESBTURPOS-UHFFFAOYSA-N
XLogP3.21
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-hexyl-3-methyl-2-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-(5-iodopentyl)-3-methyl-2-nitrobenzamide
CID 107322295
N-(6-bromohexyl)-3-methyl-2-nitrobenzamide
CID 107847503
methyl 6-[(3-methyl-2-nitrobenzoyl)amino]hexanoate
CID 31097835
3-(methylamino)-2-nitro-N-pentylbenzamide
CID 115548093
2-nitro-N-pentyl-3-(propylamino)benzamide
CID 115548094
2-methyl-3-nitro-N-nonylbenzamide
CID 4171333
N-decyl-2-fluoro-3-methylbenzamide
CID 81479719
2,3-dimethyl-N-octadecylbenzamide
CID 174462915
N-hexyl-2-methylbenzamide
CID 3017102
2-hydroxy-3-nitro-N-octylbenzamide
CID 107076295
N-hexadecyl-2-methyl-6-nitrobenzamide
CID 173399090
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methyl-2-nitrobenzamide
CID 103767357

Frequently Asked Questions

What is the IUPAC name of N-hexyl-3-methyl-2-nitrobenzamide?
The IUPAC name of N-hexyl-3-methyl-2-nitrobenzamide (CID 4603212) is N-hexyl-3-methyl-2-nitrobenzamide.
What is the SMILES notation for N-hexyl-3-methyl-2-nitrobenzamide?
The canonical SMILES for N-hexyl-3-methyl-2-nitrobenzamide is CCCCCCNC(=O)c1cccc(C)c1[N+](=O)[O-].
What is the InChIKey of N-hexyl-3-methyl-2-nitrobenzamide?
The InChIKey is UQZHQESBTURPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-4-5-6-10-15-14(17)12-9-7-8-11(2)13(12)16(18)19/h7-9H,3-6,10H2,1-2H3,(H,15,17).
What are the key properties of N-hexyl-3-methyl-2-nitrobenzamide?
N-hexyl-3-methyl-2-nitrobenzamide has a molecular weight of 264.32 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-3-methyl-2-nitrobenzamide is sourced from PubChem (CID 4603212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).