N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-methyl-3-nitrobenzamide

C18H19N3O5 — CID 2209193

IUPACN-[2-(2-methoxyethylcarbamoyl)phenyl]-2-methyl-3-nitrobenzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C18H19N3O5/c1-12-13(7-5-9-16(12)21(24)25)18(23)20-15-8-4-3-6-14(15)17(22)19-10-11-26-2/h3-9H,10-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyDCGBNHAKSOYYPU-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.53
Rot. Bonds7

About N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-methyl-3-nitrobenzamide

N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-methyl-3-nitrobenzamide (PubChem CID 2209193) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylcarbamoyl)phenyl]-2-methyl-3-nitrobenzamide
PubChem CID2209193
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN-[2-(2-methoxyethylcarbamoyl)phenyl]-2-methyl-3-nitrobenzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C18H19N3O5/c1-12-13(7-5-9-16(12)21(24)25)18(23)20-15-8-4-3-6-14(15)17(22)19-10-11-26-2/h3-9H,10-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyDCGBNHAKSOYYPU-UHFFFAOYSA-N
XLogP2.53
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-(2-methoxyethylcarbamoyl)phenyl]-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

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-methyl-3-nitrobenzamide?
The IUPAC name of N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-methyl-3-nitrobenzamide (CID 2209193) is N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-methyl-3-nitrobenzamide.
What is the SMILES notation for N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-methyl-3-nitrobenzamide?
The canonical SMILES for N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-methyl-3-nitrobenzamide is COCCNC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1C.
What is the InChIKey of N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-methyl-3-nitrobenzamide?
The InChIKey is DCGBNHAKSOYYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-12-13(7-5-9-16(12)21(24)25)18(23)20-15-8-4-3-6-14(15)17(22)19-10-11-26-2/h3-9H,10-11H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-methyl-3-nitrobenzamide?
N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-methyl-3-nitrobenzamide has a molecular weight of 357.37 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-methyl-3-nitrobenzamide is sourced from PubChem (CID 2209193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).