N-[2-(2-hydroxyethoxy)ethyl]-3-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide

C19H37NO9 — CID 88581795

IUPACN-[2-(2-hydroxyethoxy)ethyl]-3-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
SMILESCC(=O)CCOCCOCCOCCOCCOCCC(=O)NCCOCCO
InChIInChI=1S/C19H37NO9/c1-18(22)2-6-24-10-12-27-14-16-29-17-15-28-13-11-25-7-3-19(23)20-4-8-26-9-5-21/h21H,2-17H2,1H3,(H,20,23)
InChIKeyPHZJHYIUNJUQBL-UHFFFAOYSA-N
MW423.50 g/mol
LogP-0.44
Rot. Bonds23

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

N-[2-(2-hydroxyethoxy)ethyl]-3-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide (PubChem CID 88581795) has the molecular formula C19H37NO9 and a molecular weight of 423.50 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]-3-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)ethyl]-3-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
PubChem CID88581795
Molecular FormulaC19H37NO9
Molecular Weight423.50 g/mol
Exact Mass423.25
IUPAC NameN-[2-(2-hydroxyethoxy)ethyl]-3-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
SMILESCC(=O)CCOCCOCCOCCOCCOCCC(=O)NCCOCCO
InChIInChI=1S/C19H37NO9/c1-18(22)2-6-24-10-12-27-14-16-29-17-15-28-13-11-25-7-3-19(23)20-4-8-26-9-5-21/h21H,2-17H2,1H3,(H,20,23)
InChIKeyPHZJHYIUNJUQBL-UHFFFAOYSA-N
XLogP-0.44
TPSA121.78 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds23
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pentanamide
CID 145408337
3-[2-(2-aminoethoxy)ethoxy]-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
CID 145049533
3-[2-amino-3-[3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]propoxy]-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 163953950
N-[2-(3-oxobutoxy)ethyl]propanamide
CID 170259518
3-[2-(2-acetamidoethoxy)ethoxy]-N-(2-acetamidoethyl)propanamide
CID 142430015
3-(2-hydroxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide;vanadium
CID 177358681
2-methoxy-N-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 118668919
N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pentanamide
CID 54534992
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]pentanamide
CID 175944386
N-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethyl]icosanamide
CID 171841567
N-ethyl-3-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 164717500
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide
CID 131982939

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-3-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-3-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide (CID 88581795) is N-[2-(2-hydroxyethoxy)ethyl]-3-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]-3-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]-3-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide is CC(=O)CCOCCOCCOCCOCCOCCC(=O)NCCOCCO.
What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]-3-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide?
The InChIKey is PHZJHYIUNJUQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO9/c1-18(22)2-6-24-10-12-27-14-16-29-17-15-28-13-11-25-7-3-19(23)20-4-8-26-9-5-21/h21H,2-17H2,1H3,(H,20,23).
What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]-3-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide?
N-[2-(2-hydroxyethoxy)ethyl]-3-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide has a molecular weight of 423.50 g/mol, XLogP of -0.44, 23 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)ethyl]-3-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide is sourced from PubChem (CID 88581795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).