N-[2-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]ethyl]pentacosa-10,12-diynamide

C33H59N3O5 — CID 141224382

IUPACN-[2-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]ethyl]pentacosa-10,12-diynamide
SMILESCCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)NCCOCCOCCNC(=O)CON
InChIInChI=1S/C33H59N3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-32(37)35-25-27-39-29-30-40-28-26-36-33(38)31-41-34/h2-12,17-31,34H2,1H3,(H,35,37)(H,36,38)
InChIKeyOFRXNRXFFPDGBK-UHFFFAOYSA-N
MW577.85 g/mol
LogP5.58
Rot. Bonds29

About N-[2-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]ethyl]pentacosa-10,12-diynamide

N-[2-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]ethyl]pentacosa-10,12-diynamide (PubChem CID 141224382) has the molecular formula C33H59N3O5 and a molecular weight of 577.85 g/mol. Its IUPAC name is N-[2-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]ethyl]pentacosa-10,12-diynamide.

Molecular Properties

Compound NameN-[2-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]ethyl]pentacosa-10,12-diynamide
PubChem CID141224382
Molecular FormulaC33H59N3O5
Molecular Weight577.85 g/mol
Exact Mass577.45
IUPAC NameN-[2-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]ethyl]pentacosa-10,12-diynamide
SMILESCCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)NCCOCCOCCNC(=O)CON
InChIInChI=1S/C33H59N3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-32(37)35-25-27-39-29-30-40-28-26-36-33(38)31-41-34/h2-12,17-31,34H2,1H3,(H,35,37)(H,36,38)
InChIKeyOFRXNRXFFPDGBK-UHFFFAOYSA-N
XLogP5.58
TPSA111.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds29
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.85
LogP ≤ 55.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyethoxy)ethyl]pentacosa-10,12-diynamide
CID 59079215
N-[2-(2-aminooxyethoxy)ethyl]octadecanamide
CID 87339139
N,N'-di(tetradecyl)docosa-10,12-diynediamide
CID 146309118
N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]heptanamide
CID 89417865
N-[2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethyl]octadecanamide
CID 89136762
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexadecanamide
CID 87320335
N-[3-(2-methylprop-2-enoylamino)propyl]hexacosa-11,13-diynamide
CID 58297943
N-[2-[2-[2-[2-oxo-2-[2-[2-[2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethyl]pentacosa-10,12-diynamide
CID 66575614
N-(3-hydroxypropyl)hexacosa-10,12-diynamide
CID 71323360
N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
CID 170040570
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]hexadecanamide
CID 102228656
ethene;N-[2-[5-(2-sulfanylethoxy)pentoxy]ethyl]henicos-10-ynamide
CID 163381079

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]ethyl]pentacosa-10,12-diynamide?
The IUPAC name of N-[2-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]ethyl]pentacosa-10,12-diynamide (CID 141224382) is N-[2-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]ethyl]pentacosa-10,12-diynamide.
What is the SMILES notation for N-[2-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]ethyl]pentacosa-10,12-diynamide?
The canonical SMILES for N-[2-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]ethyl]pentacosa-10,12-diynamide is CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)NCCOCCOCCNC(=O)CON.
What is the InChIKey of N-[2-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]ethyl]pentacosa-10,12-diynamide?
The InChIKey is OFRXNRXFFPDGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H59N3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-32(37)35-25-27-39-29-30-40-28-26-36-33(38)31-41-34/h2-12,17-31,34H2,1H3,(H,35,37)(H,36,38).
What are the key properties of N-[2-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]ethyl]pentacosa-10,12-diynamide?
N-[2-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]ethyl]pentacosa-10,12-diynamide has a molecular weight of 577.85 g/mol, XLogP of 5.58, 29 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]ethyl]pentacosa-10,12-diynamide is sourced from PubChem (CID 141224382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).