2-nitro-N-[2-[2-[2-(2-nitroanilino)ethoxy]ethoxy]ethyl]aniline

C18H22N4O6 — CID 19710464

IUPAC2-nitro-N-[2-[2-[2-(2-nitroanilino)ethoxy]ethoxy]ethyl]aniline
SMILESO=[N+]([O-])c1ccccc1NCCOCCOCCNc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H22N4O6/c23-21(24)17-7-3-1-5-15(17)19-9-11-27-13-14-28-12-10-20-16-6-2-4-8-18(16)22(25)26/h1-8,19-20H,9-14H2
InChIKeyBQIKKAVBFGJWMX-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.06
Rot. Bonds13

About 2-nitro-N-[2-[2-[2-(2-nitroanilino)ethoxy]ethoxy]ethyl]aniline

2-nitro-N-[2-[2-[2-(2-nitroanilino)ethoxy]ethoxy]ethyl]aniline (PubChem CID 19710464) has the molecular formula C18H22N4O6 and a molecular weight of 390.40 g/mol. Its IUPAC name is 2-nitro-N-[2-[2-[2-(2-nitroanilino)ethoxy]ethoxy]ethyl]aniline.

Molecular Properties

Compound Name2-nitro-N-[2-[2-[2-(2-nitroanilino)ethoxy]ethoxy]ethyl]aniline
PubChem CID19710464
Molecular FormulaC18H22N4O6
Molecular Weight390.40 g/mol
Exact Mass390.15
IUPAC Name2-nitro-N-[2-[2-[2-(2-nitroanilino)ethoxy]ethoxy]ethyl]aniline
SMILESO=[N+]([O-])c1ccccc1NCCOCCOCCNc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H22N4O6/c23-21(24)17-7-3-1-5-15(17)19-9-11-27-13-14-28-12-10-20-16-6-2-4-8-18(16)22(25)26/h1-8,19-20H,9-14H2
InChIKeyBQIKKAVBFGJWMX-UHFFFAOYSA-N
XLogP3.06
TPSA128.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.06
H-Bond Donors ≤ 52
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-N-[2-[2-[2-(2-nitroanilino)ethoxy]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

Related Compounds

N,N'-bis(2-nitrophenyl)octane-1,8-diamine
CID 71442066
N,N'-bis(2-nitrophenyl)pentane-1,5-diamine
CID 86062096
2-(2-nitroanilino)ethylazanium iodide
CID 158180928
trimethyl-[2-(2-nitroanilino)ethyl]azanium
CID 18993728
N-(3-methylbutyl)-2-nitroaniline
CID 21476259
N-(2-methylsulfanylethyl)-2-nitroaniline
CID 57436053
N-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,6-dinitroaniline
CID 89114186
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,6-dinitroaniline
CID 135258913
2-(2-nitroanilino)ethanesulfonamide
CID 43552409
2-methylidene-4-(2-nitroanilino)butanoic acid
CID 23139707
methyl N-[2-(2-nitroanilino)ethyl]carbamate
CID 23551562
N-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,4-dinitroaniline
CID 162495808

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-[2-[2-[2-(2-nitroanilino)ethoxy]ethoxy]ethyl]aniline?
The IUPAC name of 2-nitro-N-[2-[2-[2-(2-nitroanilino)ethoxy]ethoxy]ethyl]aniline (CID 19710464) is 2-nitro-N-[2-[2-[2-(2-nitroanilino)ethoxy]ethoxy]ethyl]aniline.
What is the SMILES notation for 2-nitro-N-[2-[2-[2-(2-nitroanilino)ethoxy]ethoxy]ethyl]aniline?
The canonical SMILES for 2-nitro-N-[2-[2-[2-(2-nitroanilino)ethoxy]ethoxy]ethyl]aniline is O=[N+]([O-])c1ccccc1NCCOCCOCCNc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N-[2-[2-[2-(2-nitroanilino)ethoxy]ethoxy]ethyl]aniline?
The InChIKey is BQIKKAVBFGJWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O6/c23-21(24)17-7-3-1-5-15(17)19-9-11-27-13-14-28-12-10-20-16-6-2-4-8-18(16)22(25)26/h1-8,19-20H,9-14H2.
What are the key properties of 2-nitro-N-[2-[2-[2-(2-nitroanilino)ethoxy]ethoxy]ethyl]aniline?
2-nitro-N-[2-[2-[2-(2-nitroanilino)ethoxy]ethoxy]ethyl]aniline has a molecular weight of 390.40 g/mol, XLogP of 3.06, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-[2-[2-[2-(2-nitroanilino)ethoxy]ethoxy]ethyl]aniline is sourced from PubChem (CID 19710464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).