3-[ethyl-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]-3-oxopropyl]amino]-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]propanamide

C20H41N3O8 — CID 59400793

IUPAC3-[ethyl-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]-3-oxopropyl]amino]-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]propanamide
SMILESCCN(CCC(=O)NCCOCCOCCO)CCC(=O)NCCOCCOCCO
InChIInChI=1S/C20H41N3O8/c1-2-23(7-3-19(26)21-5-11-28-15-17-30-13-9-24)8-4-20(27)22-6-12-29-16-18-31-14-10-25/h24-25H,2-18H2,1H3,(H,21,26)(H,22,27)
InChIKeyLIDDQRBZJZZYGK-UHFFFAOYSA-N
MW451.56 g/mol
LogP-1.63
Rot. Bonds23

About 3-[ethyl-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]-3-oxopropyl]amino]-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]propanamide

3-[ethyl-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]-3-oxopropyl]amino]-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]propanamide (PubChem CID 59400793) has the molecular formula C20H41N3O8 and a molecular weight of 451.56 g/mol. Its IUPAC name is 3-[ethyl-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]-3-oxopropyl]amino]-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name3-[ethyl-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]-3-oxopropyl]amino]-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]propanamide
PubChem CID59400793
Molecular FormulaC20H41N3O8
Molecular Weight451.56 g/mol
Exact Mass451.29
IUPAC Name3-[ethyl-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]-3-oxopropyl]amino]-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]propanamide
SMILESCCN(CCC(=O)NCCOCCOCCO)CCC(=O)NCCOCCOCCO
InChIInChI=1S/C20H41N3O8/c1-2-23(7-3-19(26)21-5-11-28-15-17-30-13-9-24)8-4-20(27)22-6-12-29-16-18-31-14-10-25/h24-25H,2-18H2,1H3,(H,21,26)(H,22,27)
InChIKeyLIDDQRBZJZZYGK-UHFFFAOYSA-N
XLogP-1.63
TPSA138.82 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds23
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.56
LogP ≤ 5-1.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

7,24-Dihydroxy-8,23-dioxo-1,4,14,17-tetraoxa-7,11,20,24-tetraazacyclohexacosane
CID 23422517
N-[2-fluoro-3-[2-[2-[2-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]propanamide
CID 172297176
N,N'-bis[2-(2-hydroxyethoxy)ethyl]propanediamide
CID 20722252
2-[2-Acetamidoethyl-[2-(propanoylamino)ethyl]amino]ethyl-[3-[2-aminoethyl(methyl)amino]propyl]-[2-(2-methoxyethoxy)ethyl]-[2-(methylamino)ethyl]azanium
CID 59817331
3-acetamido-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 60747646
3-amino-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 61274475
3-[2-(2-hydroxyethoxy)ethylamino]-N-methylpropanamide
CID 61863062
N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-methylpropyl]acetamide
CID 89099218
N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylbutanamide
CID 89333538
N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 89343482
N-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 89404725
3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-N,N-dimethylpropanamide
CID 89659202

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]-3-oxopropyl]amino]-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]propanamide?
The IUPAC name of 3-[ethyl-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]-3-oxopropyl]amino]-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]propanamide (CID 59400793) is 3-[ethyl-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]-3-oxopropyl]amino]-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]propanamide.
What is the SMILES notation for 3-[ethyl-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]-3-oxopropyl]amino]-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]propanamide?
The canonical SMILES for 3-[ethyl-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]-3-oxopropyl]amino]-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]propanamide is CCN(CCC(=O)NCCOCCOCCO)CCC(=O)NCCOCCOCCO.
What is the InChIKey of 3-[ethyl-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]-3-oxopropyl]amino]-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]propanamide?
The InChIKey is LIDDQRBZJZZYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N3O8/c1-2-23(7-3-19(26)21-5-11-28-15-17-30-13-9-24)8-4-20(27)22-6-12-29-16-18-31-14-10-25/h24-25H,2-18H2,1H3,(H,21,26)(H,22,27).
What are the key properties of 3-[ethyl-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]-3-oxopropyl]amino]-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]propanamide?
3-[ethyl-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]-3-oxopropyl]amino]-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]propanamide has a molecular weight of 451.56 g/mol, XLogP of -1.63, 23 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]-3-oxopropyl]amino]-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]propanamide is sourced from PubChem (CID 59400793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).