N-[5-tert-butyl-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]formamide

C19H31NO6 — CID 169248258

IUPACN-[5-tert-butyl-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]formamide
SMILESCC(C)(C)c1ccc(OCCOCCOCCOCCO)c(NC=O)c1
InChIInChI=1S/C19H31NO6/c1-19(2,3)16-4-5-18(17(14-16)20-15-22)26-13-12-25-11-10-24-9-8-23-7-6-21/h4-5,14-15,21H,6-13H2,1-3H3,(H,20,22)
InChIKeyDMUQQPJAVNHAHY-UHFFFAOYSA-N
MW369.46 g/mol
LogP1.97
Rot. Bonds14

About N-[5-tert-butyl-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]formamide

N-[5-tert-butyl-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]formamide (PubChem CID 169248258) has the molecular formula C19H31NO6 and a molecular weight of 369.46 g/mol. Its IUPAC name is N-[5-tert-butyl-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]formamide.

Molecular Properties

Compound NameN-[5-tert-butyl-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]formamide
PubChem CID169248258
Molecular FormulaC19H31NO6
Molecular Weight369.46 g/mol
Exact Mass369.22
IUPAC NameN-[5-tert-butyl-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]formamide
SMILESCC(C)(C)c1ccc(OCCOCCOCCOCCO)c(NC=O)c1
InChIInChI=1S/C19H31NO6/c1-19(2,3)16-4-5-18(17(14-16)20-15-22)26-13-12-25-11-10-24-9-8-23-7-6-21/h4-5,14-15,21H,6-13H2,1-3H3,(H,20,22)
InChIKeyDMUQQPJAVNHAHY-UHFFFAOYSA-N
XLogP1.97
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-tert-butyl-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]formamide?
The IUPAC name of N-[5-tert-butyl-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]formamide (CID 169248258) is N-[5-tert-butyl-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]formamide.
What is the SMILES notation for N-[5-tert-butyl-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]formamide?
The canonical SMILES for N-[5-tert-butyl-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]formamide is CC(C)(C)c1ccc(OCCOCCOCCOCCO)c(NC=O)c1.
What is the InChIKey of N-[5-tert-butyl-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]formamide?
The InChIKey is DMUQQPJAVNHAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO6/c1-19(2,3)16-4-5-18(17(14-16)20-15-22)26-13-12-25-11-10-24-9-8-23-7-6-21/h4-5,14-15,21H,6-13H2,1-3H3,(H,20,22).
What are the key properties of N-[5-tert-butyl-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]formamide?
N-[5-tert-butyl-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]formamide has a molecular weight of 369.46 g/mol, XLogP of 1.97, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-tert-butyl-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]formamide is sourced from PubChem (CID 169248258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).