N-[2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethyl]octadecanamide

C26H52N2O4 — CID 89136762

IUPACN-[2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCOCCOCC(=O)NCC
InChIInChI=1S/C26H52N2O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(29)28-20-21-31-22-23-32-24-26(30)27-4-2/h3-24H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyVXZKRIRRDYCZDT-UHFFFAOYSA-N
MW456.71 g/mol
LogP5.53
Rot. Bonds25

About N-[2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethyl]octadecanamide

N-[2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethyl]octadecanamide (PubChem CID 89136762) has the molecular formula C26H52N2O4 and a molecular weight of 456.71 g/mol. Its IUPAC name is N-[2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethyl]octadecanamide.

Molecular Properties

Compound NameN-[2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethyl]octadecanamide
PubChem CID89136762
Molecular FormulaC26H52N2O4
Molecular Weight456.71 g/mol
Exact Mass456.39
IUPAC NameN-[2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCOCCOCC(=O)NCC
InChIInChI=1S/C26H52N2O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(29)28-20-21-31-22-23-32-24-26(30)27-4-2/h3-24H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyVXZKRIRRDYCZDT-UHFFFAOYSA-N
XLogP5.53
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.71
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]heptanamide
CID 89417865
N-[4-[2-[2-[2-[2-[2-[2-(3-hydroxypropylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]octadecanamide
CID 166959227
2-[[2-[2-[2-(hexadecanoylamino)ethoxy]ethoxy]acetyl]amino]acetic acid
CID 87275453
5-[2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-(hexadecanoylamino)-5-oxopentanoic acid
CID 89136764
N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
CID 170040570
2-[2-(hexadecanoylamino)ethoxy]acetic acid
CID 3017701
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]hexadecanamide
CID 102228656
N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide
CID 89176712
N-butyl-2-[2-[2-[[2-(2-propoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetamide
CID 89176591
N-[2-(2-aminooxyethoxy)ethyl]octadecanamide
CID 87339139
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexadecanamide
CID 87320335
N-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethyl]icosanamide
CID 171841567

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethyl]octadecanamide?
The IUPAC name of N-[2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethyl]octadecanamide (CID 89136762) is N-[2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethyl]octadecanamide.
What is the SMILES notation for N-[2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethyl]octadecanamide?
The canonical SMILES for N-[2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethyl]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NCCOCCOCC(=O)NCC.
What is the InChIKey of N-[2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethyl]octadecanamide?
The InChIKey is VXZKRIRRDYCZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52N2O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(29)28-20-21-31-22-23-32-24-26(30)27-4-2/h3-24H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of N-[2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethyl]octadecanamide?
N-[2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethyl]octadecanamide has a molecular weight of 456.71 g/mol, XLogP of 5.53, 25 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethyl]octadecanamide is sourced from PubChem (CID 89136762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).