N-(1-hydroxy-3-methylbutan-2-yl)-3-[2-[2-[2-[2-[2-[2-(5-oxo-2H-pyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide

C24H44N2O9 — CID 123922125

IUPACN-(1-hydroxy-3-methylbutan-2-yl)-3-[2-[2-[2-[2-[2-[2-(5-oxo-2H-pyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
SMILESCC(C)C(CO)NC(=O)CCOCCOCCOCCOCCOCCOCCN1CC=CC1=O
InChIInChI=1S/C24H44N2O9/c1-21(2)22(20-27)25-23(28)5-8-30-10-12-32-14-16-34-18-19-35-17-15-33-13-11-31-9-7-26-6-3-4-24(26)29/h3-4,21-22,27H,5-20H2,1-2H3,(H,25,28)
InChIKeyYRJXJYIUUGLXQD-UHFFFAOYSA-N
MW504.62 g/mol
LogP0.01
Rot. Bonds24

About N-(1-hydroxy-3-methylbutan-2-yl)-3-[2-[2-[2-[2-[2-[2-(5-oxo-2H-pyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide

N-(1-hydroxy-3-methylbutan-2-yl)-3-[2-[2-[2-[2-[2-[2-(5-oxo-2H-pyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide (PubChem CID 123922125) has the molecular formula C24H44N2O9 and a molecular weight of 504.62 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylbutan-2-yl)-3-[2-[2-[2-[2-[2-[2-(5-oxo-2H-pyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylbutan-2-yl)-3-[2-[2-[2-[2-[2-[2-(5-oxo-2H-pyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
PubChem CID123922125
Molecular FormulaC24H44N2O9
Molecular Weight504.62 g/mol
Exact Mass504.30
IUPAC NameN-(1-hydroxy-3-methylbutan-2-yl)-3-[2-[2-[2-[2-[2-[2-(5-oxo-2H-pyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
SMILESCC(C)C(CO)NC(=O)CCOCCOCCOCCOCCOCCOCCN1CC=CC1=O
InChIInChI=1S/C24H44N2O9/c1-21(2)22(20-27)25-23(28)5-8-30-10-12-32-14-16-34-18-19-35-17-15-33-13-11-31-9-7-26-6-3-4-24(26)29/h3-4,21-22,27H,5-20H2,1-2H3,(H,25,28)
InChIKeyYRJXJYIUUGLXQD-UHFFFAOYSA-N
XLogP0.01
TPSA125.02 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds24
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.62
LogP ≤ 50.01
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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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-3-[2-[2-[2-[2-[2-[2-(5-oxo-2H-pyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide?
The IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-3-[2-[2-[2-[2-[2-[2-(5-oxo-2H-pyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide (CID 123922125) is N-(1-hydroxy-3-methylbutan-2-yl)-3-[2-[2-[2-[2-[2-[2-(5-oxo-2H-pyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide.
What is the SMILES notation for N-(1-hydroxy-3-methylbutan-2-yl)-3-[2-[2-[2-[2-[2-[2-(5-oxo-2H-pyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide?
The canonical SMILES for N-(1-hydroxy-3-methylbutan-2-yl)-3-[2-[2-[2-[2-[2-[2-(5-oxo-2H-pyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide is CC(C)C(CO)NC(=O)CCOCCOCCOCCOCCOCCOCCN1CC=CC1=O.
What is the InChIKey of N-(1-hydroxy-3-methylbutan-2-yl)-3-[2-[2-[2-[2-[2-[2-(5-oxo-2H-pyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide?
The InChIKey is YRJXJYIUUGLXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2O9/c1-21(2)22(20-27)25-23(28)5-8-30-10-12-32-14-16-34-18-19-35-17-15-33-13-11-31-9-7-26-6-3-4-24(26)29/h3-4,21-22,27H,5-20H2,1-2H3,(H,25,28).
What are the key properties of N-(1-hydroxy-3-methylbutan-2-yl)-3-[2-[2-[2-[2-[2-[2-(5-oxo-2H-pyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide?
N-(1-hydroxy-3-methylbutan-2-yl)-3-[2-[2-[2-[2-[2-[2-(5-oxo-2H-pyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide has a molecular weight of 504.62 g/mol, XLogP of 0.01, 24 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylbutan-2-yl)-3-[2-[2-[2-[2-[2-[2-(5-oxo-2H-pyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide is sourced from PubChem (CID 123922125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).