2-nitro-4-nitroso-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]aniline

C15H23N3O6 — CID 153397252

IUPAC2-nitro-4-nitroso-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]aniline
SMILESCCCOCCOCCOCCNc1ccc(N=O)cc1[N+](=O)[O-]
InChIInChI=1S/C15H23N3O6/c1-2-6-22-8-10-24-11-9-23-7-5-16-14-4-3-13(17-19)12-15(14)18(20)21/h3-4,12,16H,2,5-11H2,1H3
InChIKeyBWFAHBQDUFGQEZ-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.86
Rot. Bonds14

About 2-nitro-4-nitroso-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]aniline

2-nitro-4-nitroso-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]aniline (PubChem CID 153397252) has the molecular formula C15H23N3O6 and a molecular weight of 341.36 g/mol. Its IUPAC name is 2-nitro-4-nitroso-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]aniline.

Molecular Properties

Compound Name2-nitro-4-nitroso-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]aniline
PubChem CID153397252
Molecular FormulaC15H23N3O6
Molecular Weight341.36 g/mol
Exact Mass341.16
IUPAC Name2-nitro-4-nitroso-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]aniline
SMILESCCCOCCOCCOCCNc1ccc(N=O)cc1[N+](=O)[O-]
InChIInChI=1S/C15H23N3O6/c1-2-6-22-8-10-24-11-9-23-7-5-16-14-4-3-13(17-19)12-15(14)18(20)21/h3-4,12,16H,2,5-11H2,1H3
InChIKeyBWFAHBQDUFGQEZ-UHFFFAOYSA-N
XLogP2.86
TPSA112.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 2-nitro-4-nitroso-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]aniline 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 2-nitro-4-nitroso-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]aniline?
The IUPAC name of 2-nitro-4-nitroso-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]aniline (CID 153397252) is 2-nitro-4-nitroso-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]aniline.
What is the SMILES notation for 2-nitro-4-nitroso-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]aniline?
The canonical SMILES for 2-nitro-4-nitroso-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]aniline is CCCOCCOCCOCCNc1ccc(N=O)cc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-4-nitroso-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]aniline?
The InChIKey is BWFAHBQDUFGQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O6/c1-2-6-22-8-10-24-11-9-23-7-5-16-14-4-3-13(17-19)12-15(14)18(20)21/h3-4,12,16H,2,5-11H2,1H3.
What are the key properties of 2-nitro-4-nitroso-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]aniline?
2-nitro-4-nitroso-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]aniline has a molecular weight of 341.36 g/mol, XLogP of 2.86, 14 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-4-nitroso-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]aniline is sourced from PubChem (CID 153397252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).