N-[4-[[(2E)-3-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]-2-hydrazinylidenepropylidene]amino]butyl]-2,2-dimethylpropanamide

C24H48N4O5 — CID 171587024

IUPACN-[4-[[(2E)-3-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]-2-hydrazinylidenepropylidene]amino]butyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)CCOCCOCCOCCOCC(/C=N/CCCCNC(=O)C(C)(C)C)=N/N
InChIInChI=1S/C24H48N4O5/c1-23(2,3)9-12-30-13-14-31-15-16-32-17-18-33-20-21(28-25)19-26-10-7-8-11-27-22(29)24(4,5)6/h19H,7-18,20,25H2,1-6H3,(H,27,29)/b26-19+,28-21+
InChIKeyYWDJQHRYABGELC-VRNZAQLISA-N
MW472.67 g/mol
LogP2.82
Rot. Bonds19

About N-[4-[[(2E)-3-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]-2-hydrazinylidenepropylidene]amino]butyl]-2,2-dimethylpropanamide

N-[4-[[(2E)-3-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]-2-hydrazinylidenepropylidene]amino]butyl]-2,2-dimethylpropanamide (PubChem CID 171587024) has the molecular formula C24H48N4O5 and a molecular weight of 472.67 g/mol. Its IUPAC name is N-[4-[[(2E)-3-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]-2-hydrazinylidenepropylidene]amino]butyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[[(2E)-3-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]-2-hydrazinylidenepropylidene]amino]butyl]-2,2-dimethylpropanamide
PubChem CID171587024
Molecular FormulaC24H48N4O5
Molecular Weight472.67 g/mol
Exact Mass472.36
IUPAC NameN-[4-[[(2E)-3-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]-2-hydrazinylidenepropylidene]amino]butyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)CCOCCOCCOCCOCC(/C=N/CCCCNC(=O)C(C)(C)C)=N/N
InChIInChI=1S/C24H48N4O5/c1-23(2,3)9-12-30-13-14-31-15-16-32-17-18-33-20-21(28-25)19-26-10-7-8-11-27-22(29)24(4,5)6/h19H,7-18,20,25H2,1-6H3,(H,27,29)/b26-19+,28-21+
InChIKeyYWDJQHRYABGELC-VRNZAQLISA-N
XLogP2.82
TPSA116.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.67
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-7,7-dimethyloctanamide
CID 176614152
ethane;N-(3-hydroxypropyl)-2,2-dimethylpropanamide
CID 144592534
2,2-dimethyl-N-[3-[3-(propan-2-ylamino)propoxy]propyl]propanamide
CID 170038260
1-[2-(3,3-dimethylbutoxy)ethoxy]propan-2-one
CID 157295783
N-[2-[2-[2-(tert-butylamino)-2-oxoethoxy]ethoxy]ethyl]-2,2-dimethylpropanamide
CID 166717971
2,2-dimethyl-N-[4-[2-(2-methylprop-2-enoxy)ethylamino]-4-oxobutyl]propanamide
CID 115699624
N-(3-ethoxypropyl)-2,2-dimethylpropanamide
CID 60717995
N-(3-methoxypropyl)-2,2-dimethylpropanamide
CID 4152468
N-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethyl]-2,2-dimethylpropanamide
CID 156551208
4-[2-[2-[[(2E)-2-hydrazinylidene-3-[2-(2-hydroxypentoxy)ethoxy]propylidene]amino]ethoxy]ethoxy]butan-2-one
CID 164540751
N-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-2,2-dimethylpropanamide
CID 169436852
N-[2-[[N-ethyl-N'-[3-(2-methoxyethoxy)propyl]carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111405254

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2E)-3-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]-2-hydrazinylidenepropylidene]amino]butyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[[(2E)-3-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]-2-hydrazinylidenepropylidene]amino]butyl]-2,2-dimethylpropanamide (CID 171587024) is N-[4-[[(2E)-3-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]-2-hydrazinylidenepropylidene]amino]butyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[[(2E)-3-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]-2-hydrazinylidenepropylidene]amino]butyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[[(2E)-3-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]-2-hydrazinylidenepropylidene]amino]butyl]-2,2-dimethylpropanamide is CC(C)(C)CCOCCOCCOCCOCC(/C=N/CCCCNC(=O)C(C)(C)C)=N/N.
What is the InChIKey of N-[4-[[(2E)-3-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]-2-hydrazinylidenepropylidene]amino]butyl]-2,2-dimethylpropanamide?
The InChIKey is YWDJQHRYABGELC-VRNZAQLISA-N. The full InChI is InChI=1S/C24H48N4O5/c1-23(2,3)9-12-30-13-14-31-15-16-32-17-18-33-20-21(28-25)19-26-10-7-8-11-27-22(29)24(4,5)6/h19H,7-18,20,25H2,1-6H3,(H,27,29)/b26-19+,28-21+.
What are the key properties of N-[4-[[(2E)-3-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]-2-hydrazinylidenepropylidene]amino]butyl]-2,2-dimethylpropanamide?
N-[4-[[(2E)-3-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]-2-hydrazinylidenepropylidene]amino]butyl]-2,2-dimethylpropanamide has a molecular weight of 472.67 g/mol, XLogP of 2.82, 19 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2E)-3-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]-2-hydrazinylidenepropylidene]amino]butyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 171587024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).