N-decyl-N-(2-hydroxy-4-nitrophenyl)acetamide

C18H28N2O4 — CID 165349673

IUPACN-decyl-N-(2-hydroxy-4-nitrophenyl)acetamide
SMILESCCCCCCCCCCN(C(C)=O)c1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C18H28N2O4/c1-3-4-5-6-7-8-9-10-13-19(15(2)21)17-12-11-16(20(23)24)14-18(17)22/h11-12,14,22H,3-10,13H2,1-2H3
InChIKeyVNNUEZOTSNWCAK-UHFFFAOYSA-N
MW336.43 g/mol
LogP4.79
Rot. Bonds11

About N-decyl-N-(2-hydroxy-4-nitrophenyl)acetamide

N-decyl-N-(2-hydroxy-4-nitrophenyl)acetamide (PubChem CID 165349673) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is N-decyl-N-(2-hydroxy-4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-decyl-N-(2-hydroxy-4-nitrophenyl)acetamide
PubChem CID165349673
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC NameN-decyl-N-(2-hydroxy-4-nitrophenyl)acetamide
SMILESCCCCCCCCCCN(C(C)=O)c1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C18H28N2O4/c1-3-4-5-6-7-8-9-10-13-19(15(2)21)17-12-11-16(20(23)24)14-18(17)22/h11-12,14,22H,3-10,13H2,1-2H3
InChIKeyVNNUEZOTSNWCAK-UHFFFAOYSA-N
XLogP4.79
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 54.79
H-Bond Donors ≤ 51
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-decyl-N-(2-hydroxy-4-nitrophenyl)acetamide 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-(2-methyl-4-nitrophenyl)-N-propylacetamide
CID 142884407
N-hexyl-N-(2-nitrothiophen-3-yl)acetamide
CID 3078776
ethyl 2-(2-hydroxy-4-nitro-N-pentanoylanilino)acetate
CID 54331301
5-nitro-2-tetradecoxyphenol
CID 19747178
2-butoxy-5-nitrophenol
CID 141158099
2-chloro-N,N-dihexyl-4-nitrobenzamide
CID 4082207
[2-[butyl(ethyl)amino]-5-nitrophenyl]methanol
CID 28963508
1-(2-hydroxy-4-nitrophenyl)-1,3-dimethylurea
CID 19818309
N,N-dibutyl-2,4-dinitroaniline
CID 15758071
N-ethyl-N-heptyl-4-nitrobenzamide
CID 91721036
(3-nitrophenyl) N-(3,4-dihydroxy-2,5-dimethylphenyl)-N-octadecylcarbamate
CID 91745248
N-hexyl-N-methyl-4-nitroaniline
CID 10799823

Frequently Asked Questions

What is the IUPAC name of N-decyl-N-(2-hydroxy-4-nitrophenyl)acetamide?
The IUPAC name of N-decyl-N-(2-hydroxy-4-nitrophenyl)acetamide (CID 165349673) is N-decyl-N-(2-hydroxy-4-nitrophenyl)acetamide.
What is the SMILES notation for N-decyl-N-(2-hydroxy-4-nitrophenyl)acetamide?
The canonical SMILES for N-decyl-N-(2-hydroxy-4-nitrophenyl)acetamide is CCCCCCCCCCN(C(C)=O)c1ccc([N+](=O)[O-])cc1O.
What is the InChIKey of N-decyl-N-(2-hydroxy-4-nitrophenyl)acetamide?
The InChIKey is VNNUEZOTSNWCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-3-4-5-6-7-8-9-10-13-19(15(2)21)17-12-11-16(20(23)24)14-18(17)22/h11-12,14,22H,3-10,13H2,1-2H3.
What are the key properties of N-decyl-N-(2-hydroxy-4-nitrophenyl)acetamide?
N-decyl-N-(2-hydroxy-4-nitrophenyl)acetamide has a molecular weight of 336.43 g/mol, XLogP of 4.79, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-N-(2-hydroxy-4-nitrophenyl)acetamide is sourced from PubChem (CID 165349673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).