N-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethyl]icosanamide

C30H59NO5 — CID 171841567

IUPACN-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethyl]icosanamide
SMILESCCCCCCCCCCCCCCCCCCCC(=O)NCCOCCOCCOCCC(C)=O
InChIInChI=1S/C30H59NO5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-30(33)31-22-24-35-26-28-36-27-25-34-23-21-29(2)32/h3-28H2,1-2H3,(H,31,33)
InChIKeyIUMONKHIVVSCEM-UHFFFAOYSA-N
MW513.80 g/mol
LogP7.17
Rot. Bonds30

About N-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethyl]icosanamide

N-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethyl]icosanamide (PubChem CID 171841567) has the molecular formula C30H59NO5 and a molecular weight of 513.80 g/mol. Its IUPAC name is N-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethyl]icosanamide.

Molecular Properties

Compound NameN-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethyl]icosanamide
PubChem CID171841567
Molecular FormulaC30H59NO5
Molecular Weight513.80 g/mol
Exact Mass513.44
IUPAC NameN-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethyl]icosanamide
SMILESCCCCCCCCCCCCCCCCCCCC(=O)NCCOCCOCCOCCC(C)=O
InChIInChI=1S/C30H59NO5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-30(33)31-22-24-35-26-28-36-27-25-34-23-21-29(2)32/h3-28H2,1-2H3,(H,31,33)
InChIKeyIUMONKHIVVSCEM-UHFFFAOYSA-N
XLogP7.17
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds30
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.80
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]hexadecanamide
CID 102228656
N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
CID 170040570
2-(henicosanoylamino)-5-oxo-5-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethylamino]pentanoic acid
CID 123912281
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexadecanamide
CID 87320335
N-[2-(2-aminooxyethoxy)ethyl]octadecanamide
CID 87339139
N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]heptanamide
CID 89417865
N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]hexadecanamide
CID 145049534
N-[4-[bis[2-[2-(3-oxobutoxy)ethoxy]ethyl]amino]-4-oxobutyl]dodecanamide
CID 122631868
hexakis(17-[2-(4-oxohexoxy)ethoxy]heptadecane-2,15-dione);pentakis(15-[2-(4-oxohexoxy)ethoxy]pentadecane-2,13-dione);10-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]dodecanamide
CID 157129322
N-[2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethyl]octadecanamide
CID 89136762
N-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethyl]tetradecanamide
CID 156529774
N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-16-sulfanylhexadecanamide
CID 101129520

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethyl]icosanamide?
The IUPAC name of N-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethyl]icosanamide (CID 171841567) is N-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethyl]icosanamide.
What is the SMILES notation for N-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethyl]icosanamide?
The canonical SMILES for N-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethyl]icosanamide is CCCCCCCCCCCCCCCCCCCC(=O)NCCOCCOCCOCCC(C)=O.
What is the InChIKey of N-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethyl]icosanamide?
The InChIKey is IUMONKHIVVSCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H59NO5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-30(33)31-22-24-35-26-28-36-27-25-34-23-21-29(2)32/h3-28H2,1-2H3,(H,31,33).
What are the key properties of N-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethyl]icosanamide?
N-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethyl]icosanamide has a molecular weight of 513.80 g/mol, XLogP of 7.17, 30 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethyl]icosanamide is sourced from PubChem (CID 171841567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).