N-[2-[2-[2-[2-[2-[1-(2-propoxyethyl)triazol-4-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide

C22H42N4O6 — CID 176686546

IUPACN-[2-[2-[2-[2-[2-[1-(2-propoxyethyl)triazol-4-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
SMILESCCCCC(=O)NCCOCCOCCOCCOCCc1cn(CCOCCC)nn1
InChIInChI=1S/C22H42N4O6/c1-3-5-6-22(27)23-8-12-30-15-17-32-19-18-31-16-14-29-11-7-21-20-26(25-24-21)9-13-28-10-4-2/h20H,3-19H2,1-2H3,(H,23,27)
InChIKeyMMHWEQGSRZGVIO-UHFFFAOYSA-N
MW458.60 g/mol
LogP1.62
Rot. Bonds23

About N-[2-[2-[2-[2-[2-[1-(2-propoxyethyl)triazol-4-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide

N-[2-[2-[2-[2-[2-[1-(2-propoxyethyl)triazol-4-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide (PubChem CID 176686546) has the molecular formula C22H42N4O6 and a molecular weight of 458.60 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[2-[1-(2-propoxyethyl)triazol-4-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-[2-[1-(2-propoxyethyl)triazol-4-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
PubChem CID176686546
Molecular FormulaC22H42N4O6
Molecular Weight458.60 g/mol
Exact Mass458.31
IUPAC NameN-[2-[2-[2-[2-[2-[1-(2-propoxyethyl)triazol-4-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
SMILESCCCCC(=O)NCCOCCOCCOCCOCCc1cn(CCOCCC)nn1
InChIInChI=1S/C22H42N4O6/c1-3-5-6-22(27)23-8-12-30-15-17-32-19-18-31-16-14-29-11-7-21-20-26(25-24-21)9-13-28-10-4-2/h20H,3-19H2,1-2H3,(H,23,27)
InChIKeyMMHWEQGSRZGVIO-UHFFFAOYSA-N
XLogP1.62
TPSA105.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds23
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.60
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-(hexadecanoylamino)-5-oxo-5-[2-[2-[2-[4-[2-(pentylcarbamoyloxy)ethyl]triazol-1-yl]ethoxy]ethoxy]ethylamino]pentanoic acid
CID 164970663
2-methyl-N-[2-[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]ethyl]propanamide
CID 157240697
3-[1-(2-propoxyethyl)triazol-4-yl]propanoic acid
CID 107461014
4-methyl-1-[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]pentan-3-one
CID 167447960
3-methyl-N-[2-[2-[2-[2-[2-[4-(5-methylhexyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 169018887
N-[3-[4-(aminomethyl)triazol-1-yl]propyl]pentanamide
CID 167455307
N-[2-[2-[2-(4-ethyltriazol-1-yl)ethoxy]ethoxy]ethyl]acetamide
CID 156664422
N-[2-[[1-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]pentanamide
CID 158343037
5-[(3aS,4S,6aR)-3a,6a-dimethyl-2-oxo-1,3,4,6-tetrahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-(4-propyltriazol-1-yl)ethoxy]ethoxy]ethyl]pentanamide
CID 137390160
ethane;molecular hydrogen;N-[2-(2-propoxyethoxy)ethyl]pentanamide
CID 170639867
N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 167513156
6-[4-[2-[2-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]-2-(tetradecanoylamino)hexanoic acid
CID 122551402

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-[2-[1-(2-propoxyethyl)triazol-4-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide?
The IUPAC name of N-[2-[2-[2-[2-[2-[1-(2-propoxyethyl)triazol-4-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide (CID 176686546) is N-[2-[2-[2-[2-[2-[1-(2-propoxyethyl)triazol-4-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide.
What is the SMILES notation for N-[2-[2-[2-[2-[2-[1-(2-propoxyethyl)triazol-4-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide?
The canonical SMILES for N-[2-[2-[2-[2-[2-[1-(2-propoxyethyl)triazol-4-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide is CCCCC(=O)NCCOCCOCCOCCOCCc1cn(CCOCCC)nn1.
What is the InChIKey of N-[2-[2-[2-[2-[2-[1-(2-propoxyethyl)triazol-4-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide?
The InChIKey is MMHWEQGSRZGVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N4O6/c1-3-5-6-22(27)23-8-12-30-15-17-32-19-18-31-16-14-29-11-7-21-20-26(25-24-21)9-13-28-10-4-2/h20H,3-19H2,1-2H3,(H,23,27).
What are the key properties of N-[2-[2-[2-[2-[2-[1-(2-propoxyethyl)triazol-4-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide?
N-[2-[2-[2-[2-[2-[1-(2-propoxyethyl)triazol-4-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide has a molecular weight of 458.60 g/mol, XLogP of 1.62, 23 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-[2-[1-(2-propoxyethyl)triazol-4-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide is sourced from PubChem (CID 176686546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).