3-[2-[2-[2-[2-[[1-[2-[2-[2-[2-(2,4-dinitroanilino)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]propanamide

C34H50N8O15 — CID 154706809

IUPAC3-[2-[2-[2-[2-[[1-[2-[2-[2-[2-(2,4-dinitroanilino)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]propanamide
SMILESO=C(CCOCCOCCOCCOCCOCc1cn(CCOCCOCCOCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nn1)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C34H50N8O15/c43-32(36-6-8-40-33(44)3-4-34(40)45)5-10-50-13-16-53-19-20-55-21-22-56-23-24-57-27-28-26-39(38-37-28)9-12-52-15-18-54-17-14-51-11-7-35-30-2-1-29(41(46)47)25-31(30)42(48)49/h1-4,25-26,35H,5-24,27H2,(H,36,43)
InChIKeyCUANCKKSSKURQC-UHFFFAOYSA-N
MW810.81 g/mol
LogP0.27
Rot. Bonds35

About 3-[2-[2-[2-[2-[[1-[2-[2-[2-[2-(2,4-dinitroanilino)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]propanamide

3-[2-[2-[2-[2-[[1-[2-[2-[2-[2-(2,4-dinitroanilino)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]propanamide (PubChem CID 154706809) has the molecular formula C34H50N8O15 and a molecular weight of 810.81 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-[[1-[2-[2-[2-[2-(2,4-dinitroanilino)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-[2-[2-[2-[2-[[1-[2-[2-[2-[2-(2,4-dinitroanilino)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]propanamide
PubChem CID154706809
Molecular FormulaC34H50N8O15
Molecular Weight810.81 g/mol
Exact Mass810.34
IUPAC Name3-[2-[2-[2-[2-[[1-[2-[2-[2-[2-(2,4-dinitroanilino)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]propanamide
SMILESO=C(CCOCCOCCOCCOCCOCc1cn(CCOCCOCCOCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nn1)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C34H50N8O15/c43-32(36-6-8-40-33(44)3-4-34(40)45)5-10-50-13-16-53-19-20-55-21-22-56-23-24-57-27-28-26-39(38-37-28)9-12-52-15-18-54-17-14-51-11-7-35-30-2-1-29(41(46)47)25-31(30)42(48)49/h1-4,25-26,35H,5-24,27H2,(H,36,43)
InChIKeyCUANCKKSSKURQC-UHFFFAOYSA-N
XLogP0.27
TPSA269.34 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds35
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.81
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[2-[2-[2-[2-[[1-[2-[2-[2-[2-(2,4-dinitroanilino)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]propanamide with MolForge

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Related Compounds

(2S)-2-[3-[1-carboxy-5-[4-[2-[2-(2,4-dinitroanilino)ethoxy]ethoxymethyl]triazol-1-yl]pentyl]-5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl]pentanedioic acid
CID 122631281
3-[3-(2-carboxyethoxy)-2-[[2-[2-[2-[2-(2,4-dinitroanilino)ethoxy]ethoxy]ethoxy]acetyl]amino]propoxy]propanoic acid
CID 166681912
2-[2-[2-[2-[2-[2-[2-[2-(butylcarbamoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-[2-[4-[(2,4-dinitroanilino)methyl]triazol-1-yl]ethyl]imidazole-1-carboxylate
CID 166724587
N-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,4-dinitroaniline
CID 162495808
4-[2-[2-[2-[2-[[4-[2-[2-[2-[2-(2,4-dinitroanilino)ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-1H-indole-2-carboxylic acid
CID 142403287
N-[2-[2-(tert-butylamino)ethoxy]ethyl]-2-(2,4-dinitroanilino)acetamide
CID 159150951
N-[2-[2-(dimethylamino)ethoxy]ethyl]-2,4-dinitroaniline
CID 103952478
ditert-butyl (2S)-2-[[(3S)-7-[4-[3-(2,4-dinitrophenyl)propoxymethyl]triazol-1-yl]-2,2-dimethylheptan-3-yl]carbamoylamino]pentanedioate
CID 162223312
N-methyl-3-[2-[2-[2-[2-[4-[[3-(3-methylbutan-2-ylamino)-3-oxopropoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 161238580
(2R,3R,4R)-2-[2-[2-[2-[2-[2-[2-[2-(2,4-dinitroanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxane-3,4-diol
CID 170424652
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-(2-prop-2-ynoxyethoxy)propanamide
CID 172937368
2,4-dinitro-N-(2-prop-2-ynoxyethyl)aniline
CID 58078859

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[2-[[1-[2-[2-[2-[2-(2,4-dinitroanilino)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]propanamide?
The IUPAC name of 3-[2-[2-[2-[2-[[1-[2-[2-[2-[2-(2,4-dinitroanilino)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]propanamide (CID 154706809) is 3-[2-[2-[2-[2-[[1-[2-[2-[2-[2-(2,4-dinitroanilino)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-[2-[2-[2-[2-[[1-[2-[2-[2-[2-(2,4-dinitroanilino)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]propanamide?
The canonical SMILES for 3-[2-[2-[2-[2-[[1-[2-[2-[2-[2-(2,4-dinitroanilino)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]propanamide is O=C(CCOCCOCCOCCOCCOCc1cn(CCOCCOCCOCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nn1)NCCN1C(=O)C=CC1=O.
What is the InChIKey of 3-[2-[2-[2-[2-[[1-[2-[2-[2-[2-(2,4-dinitroanilino)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]propanamide?
The InChIKey is CUANCKKSSKURQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H50N8O15/c43-32(36-6-8-40-33(44)3-4-34(40)45)5-10-50-13-16-53-19-20-55-21-22-56-23-24-57-27-28-26-39(38-37-28)9-12-52-15-18-54-17-14-51-11-7-35-30-2-1-29(41(46)47)25-31(30)42(48)49/h1-4,25-26,35H,5-24,27H2,(H,36,43).
What are the key properties of 3-[2-[2-[2-[2-[[1-[2-[2-[2-[2-(2,4-dinitroanilino)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]propanamide?
3-[2-[2-[2-[2-[[1-[2-[2-[2-[2-(2,4-dinitroanilino)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]propanamide has a molecular weight of 810.81 g/mol, XLogP of 0.27, 35 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[2-[[1-[2-[2-[2-[2-(2,4-dinitroanilino)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]propanamide is sourced from PubChem (CID 154706809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).