N-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2,2-dimethylpropanamide

C19H31NO6 — CID 58408889

IUPACN-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(OCCOCCOCCOCCO)cc1
InChIInChI=1S/C19H31NO6/c1-19(2,3)18(22)20-16-4-6-17(7-5-16)26-15-14-25-13-12-24-11-10-23-9-8-21/h4-7,21H,8-15H2,1-3H3,(H,20,22)
InChIKeyZBUKMNLABPIMRY-UHFFFAOYSA-N
MW369.46 g/mol
LogP2.09
Rot. Bonds13

About N-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2,2-dimethylpropanamide

N-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2,2-dimethylpropanamide (PubChem CID 58408889) has the molecular formula C19H31NO6 and a molecular weight of 369.46 g/mol. Its IUPAC name is N-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2,2-dimethylpropanamide
PubChem CID58408889
Molecular FormulaC19H31NO6
Molecular Weight369.46 g/mol
Exact Mass369.22
IUPAC NameN-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(OCCOCCOCCOCCO)cc1
InChIInChI=1S/C19H31NO6/c1-19(2,3)18(22)20-16-4-6-17(7-5-16)26-15-14-25-13-12-24-11-10-23-9-8-21/h4-7,21H,8-15H2,1-3H3,(H,20,22)
InChIKeyZBUKMNLABPIMRY-UHFFFAOYSA-N
XLogP2.09
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[4-(2-ethoxyethoxy)phenyl]-2-methylpropanamide
CID 100691237
2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102253711
N-[4-(4-ethoxyphenoxy)phenyl]-2,2-dimethylpropanamide
CID 26242416
2-hydroxy-1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2-methylpropan-1-one
CID 22956687
(2S)-3-[4-[2-[4-(2,2-dimethylpropanoylamino)phenoxy]ethoxy]phenyl]-2-methoxypropanoic acid
CID 58822714
2-[2-[4-[2-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethanol
CID 15607829
2,2-dimethyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]propanamide
CID 100690251
2-bromo-N-(4-butoxyphenyl)-2-methylpropanamide
CID 71668805
4-tert-butyl-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 14698589
N-[4-(2-ethoxyethoxy)phenyl]-2-methoxy-2-methylpentanamide
CID 133245970
N-[4-(2-(113C)ethoxyethoxy)phenyl]acetamide
CID 54301804
N-[4-(2-ethoxyethoxy)phenyl]-2-methoxy-2-methylhexanamide
CID 133167167

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2,2-dimethylpropanamide (CID 58408889) is N-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(OCCOCCOCCOCCO)cc1.
What is the InChIKey of N-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2,2-dimethylpropanamide?
The InChIKey is ZBUKMNLABPIMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO6/c1-19(2,3)18(22)20-16-4-6-17(7-5-16)26-15-14-25-13-12-24-11-10-23-9-8-21/h4-7,21H,8-15H2,1-3H3,(H,20,22).
What are the key properties of N-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2,2-dimethylpropanamide?
N-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2,2-dimethylpropanamide has a molecular weight of 369.46 g/mol, XLogP of 2.09, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 58408889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).