N'-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-N-(3-ethoxypropyl)pentanediamide

C24H49N3O6 — CID 88902416

IUPACN'-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-N-(3-ethoxypropyl)pentanediamide
SMILESCCOCCCNC(=O)CCCC(=O)NCCCOCCOCCOCCCNC(C)(C)C
InChIInChI=1S/C24H49N3O6/c1-5-30-15-7-12-25-22(28)10-6-11-23(29)26-13-8-16-31-18-20-33-21-19-32-17-9-14-27-24(2,3)4/h27H,5-21H2,1-4H3,(H,25,28)(H,26,29)
InChIKeyJPULXAVUXADNJT-UHFFFAOYSA-N
MW475.67 g/mol
LogP2.03
Rot. Bonds23

About N'-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-N-(3-ethoxypropyl)pentanediamide

N'-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-N-(3-ethoxypropyl)pentanediamide (PubChem CID 88902416) has the molecular formula C24H49N3O6 and a molecular weight of 475.67 g/mol. Its IUPAC name is N'-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-N-(3-ethoxypropyl)pentanediamide.

Molecular Properties

Compound NameN'-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-N-(3-ethoxypropyl)pentanediamide
PubChem CID88902416
Molecular FormulaC24H49N3O6
Molecular Weight475.67 g/mol
Exact Mass475.36
IUPAC NameN'-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-N-(3-ethoxypropyl)pentanediamide
SMILESCCOCCCNC(=O)CCCC(=O)NCCCOCCOCCOCCCNC(C)(C)C
InChIInChI=1S/C24H49N3O6/c1-5-30-15-7-12-25-22(28)10-6-11-23(29)26-13-8-16-31-18-20-33-21-19-32-17-9-14-27-24(2,3)4/h27H,5-21H2,1-4H3,(H,25,28)(H,26,29)
InChIKeyJPULXAVUXADNJT-UHFFFAOYSA-N
XLogP2.03
TPSA107.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds23
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.67
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-N'-[3-(2-methylbutan-2-yloxy)propyl]pentanediamide
CID 130272018
N-[3-[2-(2-ethoxyethoxy)ethoxy]propyl]-2-methylpropan-2-amine
CID 89274546
N'-[3-[2-[2-[3-(3-chloropropanoylamino)propoxy]ethoxy]ethoxy]propyl]-N-(3-ethoxypropyl)pentanediamide
CID 126550925
N-[3-[3-(tert-butylamino)propoxy]propyl]-2-methoxyacetamide
CID 135296593
4-ethoxy-N-[3-[2-[2-[3-(ethylamino)propoxy]ethoxy]ethoxy]propyl]butanamide;molecular hydrogen
CID 162749894
N-[3-(3-ethoxypropoxy)propyl]-2-methylpropan-2-amine
CID 155219490
N-(3-ethoxypropyl)-3-(ethylamino)propanamide
CID 62832106
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-3-ethoxypropanamide
CID 140926568
5-[3-[2-[2-[3-(4-carboxybutanoylamino)propoxy]ethoxy]ethoxy]propylamino]-5-oxopentanoic acid
CID 89212622
5-oxo-N-[3-[2-[2-[3-(pentanoylamino)propoxy]ethoxy]ethoxy]propyl]hexanamide
CID 129222312
3-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-(4,4-dimethylpentyl)propanamide
CID 166976016
4-ethoxy-N-(2-hydroxyethyl)butanamide
CID 112728032

Frequently Asked Questions

What is the IUPAC name of N'-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-N-(3-ethoxypropyl)pentanediamide?
The IUPAC name of N'-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-N-(3-ethoxypropyl)pentanediamide (CID 88902416) is N'-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-N-(3-ethoxypropyl)pentanediamide.
What is the SMILES notation for N'-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-N-(3-ethoxypropyl)pentanediamide?
The canonical SMILES for N'-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-N-(3-ethoxypropyl)pentanediamide is CCOCCCNC(=O)CCCC(=O)NCCCOCCOCCOCCCNC(C)(C)C.
What is the InChIKey of N'-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-N-(3-ethoxypropyl)pentanediamide?
The InChIKey is JPULXAVUXADNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49N3O6/c1-5-30-15-7-12-25-22(28)10-6-11-23(29)26-13-8-16-31-18-20-33-21-19-32-17-9-14-27-24(2,3)4/h27H,5-21H2,1-4H3,(H,25,28)(H,26,29).
What are the key properties of N'-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-N-(3-ethoxypropyl)pentanediamide?
N'-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-N-(3-ethoxypropyl)pentanediamide has a molecular weight of 475.67 g/mol, XLogP of 2.03, 23 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-N-(3-ethoxypropyl)pentanediamide is sourced from PubChem (CID 88902416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).