N-(4-amino-3-nitrophenyl)hexadecanamide

C22H37N3O3 — CID 71443748

IUPACN-(4-amino-3-nitrophenyl)hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)Nc1ccc(N)c([N+](=O)[O-])c1
InChIInChI=1S/C22H37N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(26)24-19-16-17-20(23)21(18-19)25(27)28/h16-18H,2-15,23H2,1H3,(H,24,26)
InChIKeyIRBPXVAXCBONQS-UHFFFAOYSA-N
MW391.56 g/mol
LogP6.60
Rot. Bonds16

About N-(4-amino-3-nitrophenyl)hexadecanamide

N-(4-amino-3-nitrophenyl)hexadecanamide (PubChem CID 71443748) has the molecular formula C22H37N3O3 and a molecular weight of 391.56 g/mol. Its IUPAC name is N-(4-amino-3-nitrophenyl)hexadecanamide.

Molecular Properties

Compound NameN-(4-amino-3-nitrophenyl)hexadecanamide
PubChem CID71443748
Molecular FormulaC22H37N3O3
Molecular Weight391.56 g/mol
Exact Mass391.28
IUPAC NameN-(4-amino-3-nitrophenyl)hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)Nc1ccc(N)c([N+](=O)[O-])c1
InChIInChI=1S/C22H37N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(26)24-19-16-17-20(23)21(18-19)25(27)28/h16-18H,2-15,23H2,1H3,(H,24,26)
InChIKeyIRBPXVAXCBONQS-UHFFFAOYSA-N
XLogP6.60
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.56
LogP ≤ 56.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-nitro-3-(octanoylamino)phenyl]octanamide
CID 3518241
N-(4-nitrophenyl)tridecanamide
CID 86103066
N-(4-nitrophenyl)hexadecanamide
CID 14087849
4-(4-amino-3-nitroanilino)-2-(butylamino)-4-oxobutanoic acid
CID 66491297
N-(3-amino-4-chlorophenyl)decanamide
CID 65447970
N,N'-bis(4-chloro-3-nitrophenyl)decanediamide
CID 17080083
N-(4-ethyl-3-nitrophenyl)-5-hydroxypentanamide
CID 79199585
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-[4-[(4-nitrophenyl)methylamino]phenyl]decanamide
CID 154663728
N-[3-nitro-4-(pyridin-2-ylmethyl)phenyl]octadecanamide
CID 14556722
5-bromo-N-(4-ethyl-3-nitrophenyl)pentanamide
CID 114014780
N-[4-(4-nitrophenyl)sulfonylphenyl]heptanamide
CID 46707517

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-nitrophenyl)hexadecanamide?
The IUPAC name of N-(4-amino-3-nitrophenyl)hexadecanamide (CID 71443748) is N-(4-amino-3-nitrophenyl)hexadecanamide.
What is the SMILES notation for N-(4-amino-3-nitrophenyl)hexadecanamide?
The canonical SMILES for N-(4-amino-3-nitrophenyl)hexadecanamide is CCCCCCCCCCCCCCCC(=O)Nc1ccc(N)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-amino-3-nitrophenyl)hexadecanamide?
The InChIKey is IRBPXVAXCBONQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(26)24-19-16-17-20(23)21(18-19)25(27)28/h16-18H,2-15,23H2,1H3,(H,24,26).
What are the key properties of N-(4-amino-3-nitrophenyl)hexadecanamide?
N-(4-amino-3-nitrophenyl)hexadecanamide has a molecular weight of 391.56 g/mol, XLogP of 6.60, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-nitrophenyl)hexadecanamide is sourced from PubChem (CID 71443748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).