N-(4-nitrophenyl)hexadecanamide

C22H36N2O3 — CID 14087849

IUPACN-(4-nitrophenyl)hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C22H36N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(25)23-20-16-18-21(19-17-20)24(26)27/h16-19H,2-15H2,1H3,(H,23,25)
InChIKeyOHXRDBCKXJJRSR-UHFFFAOYSA-N
MW376.54 g/mol
LogP7.01
Rot. Bonds16

About N-(4-nitrophenyl)hexadecanamide

N-(4-nitrophenyl)hexadecanamide (PubChem CID 14087849) has the molecular formula C22H36N2O3 and a molecular weight of 376.54 g/mol. Its IUPAC name is N-(4-nitrophenyl)hexadecanamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)hexadecanamide
PubChem CID14087849
Molecular FormulaC22H36N2O3
Molecular Weight376.54 g/mol
Exact Mass376.27
IUPAC NameN-(4-nitrophenyl)hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C22H36N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(25)23-20-16-18-21(19-17-20)24(26)27/h16-19H,2-15H2,1H3,(H,23,25)
InChIKeyOHXRDBCKXJJRSR-UHFFFAOYSA-N
XLogP7.01
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.54
LogP ≤ 57.01
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-(4-nitrophenyl)hexadecanamide 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-nitrophenyl)tridecanamide
CID 86103066
N-[4-(4-nitrophenyl)sulfonylphenyl]heptanamide
CID 46707517
N-[4-[(4-nitrophenyl)methylamino]phenyl]decanamide
CID 154663728
N-(4-nitrophenyl)icosa-5,8,11,14-tetraenamide
CID 53394071
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
4-chloro-N-(4-nitrophenyl)butanamide
CID 4586248
N-(4-amino-3-nitrophenyl)hexadecanamide
CID 71443748
4-nitro-N-octadecanoylbenzamide
CID 102032095
N-[4-nitro-3-(octanoylamino)phenyl]octanamide
CID 3518241
N-(4-acetamidophenyl)hexanamide
CID 4953736
N-(2-chloro-4-nitrophenyl)heptanamide
CID 3321854
N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]hexanamide
CID 26161226

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)hexadecanamide?
The IUPAC name of N-(4-nitrophenyl)hexadecanamide (CID 14087849) is N-(4-nitrophenyl)hexadecanamide.
What is the SMILES notation for N-(4-nitrophenyl)hexadecanamide?
The canonical SMILES for N-(4-nitrophenyl)hexadecanamide is CCCCCCCCCCCCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(4-nitrophenyl)hexadecanamide?
The InChIKey is OHXRDBCKXJJRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(25)23-20-16-18-21(19-17-20)24(26)27/h16-19H,2-15H2,1H3,(H,23,25).
What are the key properties of N-(4-nitrophenyl)hexadecanamide?
N-(4-nitrophenyl)hexadecanamide has a molecular weight of 376.54 g/mol, XLogP of 7.01, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)hexadecanamide is sourced from PubChem (CID 14087849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).