N-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,4-dinitroaniline

C20H33N3O10 — CID 162495808

IUPACN-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,4-dinitroaniline
SMILESCCOCCOCCOCCOCCOCCOCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C20H33N3O10/c1-2-28-7-8-30-11-12-32-15-16-33-14-13-31-10-9-29-6-5-21-19-4-3-18(22(24)25)17-20(19)23(26)27/h3-4,17,21H,2,5-16H2,1H3
InChIKeyVPEILLHEEHHMES-UHFFFAOYSA-N
MW475.50 g/mol
LogP2.03
Rot. Bonds22

About N-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,4-dinitroaniline

N-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,4-dinitroaniline (PubChem CID 162495808) has the molecular formula C20H33N3O10 and a molecular weight of 475.50 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,4-dinitroaniline.

Molecular Properties

Compound NameN-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,4-dinitroaniline
PubChem CID162495808
Molecular FormulaC20H33N3O10
Molecular Weight475.50 g/mol
Exact Mass475.22
IUPAC NameN-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,4-dinitroaniline
SMILESCCOCCOCCOCCOCCOCCOCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C20H33N3O10/c1-2-28-7-8-30-11-12-32-15-16-33-14-13-31-10-9-29-6-5-21-19-4-3-18(22(24)25)17-20(19)23(26)27/h3-4,17,21H,2,5-16H2,1H3
InChIKeyVPEILLHEEHHMES-UHFFFAOYSA-N
XLogP2.03
TPSA153.69 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds22
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.50
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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'}

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Related Compounds

N-[2-[2-(dimethylamino)ethoxy]ethyl]-2,4-dinitroaniline
CID 103952478
N-(2-ethoxyethyl)-2-fluoro-4-nitroaniline
CID 43591241
2,4-dinitro-N-(2-prop-2-ynoxyethyl)aniline
CID 58078859
4-(2-ethoxyethoxymethyl)-2-nitro-N-propylaniline
CID 62195676
4-(2-ethoxyethylamino)-N,N-dimethyl-3-nitrobenzamide
CID 82991065
2-nitro-4-nitroso-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]aniline
CID 153397252
2-(2,4-dinitroanilino)ethylazanium
CID 7122512
N-(3-ethoxypropyl)-4-methoxy-2-nitroaniline
CID 29300264
N-(2-methylsulfanylethyl)-2,4-dinitroaniline
CID 60632017
N-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,6-dinitroaniline
CID 89114186
ethyl 4-(2,4-dinitroanilino)butanoate
CID 2836112
2-(2,4-dinitroanilino)ethyl 2-bromopropanoate
CID 71406807

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,4-dinitroaniline?
The IUPAC name of N-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,4-dinitroaniline (CID 162495808) is N-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,4-dinitroaniline.
What is the SMILES notation for N-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,4-dinitroaniline?
The canonical SMILES for N-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,4-dinitroaniline is CCOCCOCCOCCOCCOCCOCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of N-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,4-dinitroaniline?
The InChIKey is VPEILLHEEHHMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O10/c1-2-28-7-8-30-11-12-32-15-16-33-14-13-31-10-9-29-6-5-21-19-4-3-18(22(24)25)17-20(19)23(26)27/h3-4,17,21H,2,5-16H2,1H3.
What are the key properties of N-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,4-dinitroaniline?
N-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,4-dinitroaniline has a molecular weight of 475.50 g/mol, XLogP of 2.03, 22 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,4-dinitroaniline is sourced from PubChem (CID 162495808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).