N-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]acetamide

C12H17NO4 — CID 61076230

IUPACN-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OCCOCCO
InChIInChI=1S/C12H17NO4/c1-10(15)13-11-4-2-3-5-12(11)17-9-8-16-7-6-14/h2-5,14H,6-9H2,1H3,(H,13,15)
InChIKeyPHHCBEPFJOLXQC-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.03
Rot. Bonds7

About N-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]acetamide

N-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]acetamide (PubChem CID 61076230) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]acetamide
PubChem CID61076230
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC NameN-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OCCOCCO
InChIInChI=1S/C12H17NO4/c1-10(15)13-11-4-2-3-5-12(11)17-9-8-16-7-6-14/h2-5,14H,6-9H2,1H3,(H,13,15)
InChIKeyPHHCBEPFJOLXQC-UHFFFAOYSA-N
XLogP1.03
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(2-acetamidophenoxy)butoxy]phenyl]acetamide
CID 3708150
N-[2-(2-prop-2-enoxyethoxy)phenyl]acetamide
CID 86096394
N-[2-[10-(2-acetamidophenoxy)decoxy]phenyl]acetamide
CID 4569719
N-[2-[2-(2-methylphenoxy)ethoxy]phenyl]acetamide
CID 9017902
N-[2-[2-(4-fluorophenoxy)ethoxy]phenyl]acetamide
CID 7506171
2-[2-[2-(2-methoxyphenoxy)ethoxy]ethoxy]ethanol
CID 15049023
N-[2-[2-(2-aminophenyl)ethoxy]phenyl]acetamide
CID 62496426
N-[2-(4-oxo-4-phenylbutoxy)phenyl]acetamide
CID 13128525
N-[2-[2-(3-aminophenoxy)ethoxy]phenyl]acetamide
CID 43174395
N-[5-(1,3-benzothiazol-2-yl)-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]acetamide
CID 142525643
N-[2-(5-hydrazinyl-5-oxopentoxy)phenyl]acetamide
CID 63576193
N-[2-[2-(methylcarbamoylamino)phenoxy]ethyl]acetamide
CID 118591797

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]acetamide?
The IUPAC name of N-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]acetamide (CID 61076230) is N-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]acetamide.
What is the SMILES notation for N-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]acetamide?
The canonical SMILES for N-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]acetamide is CC(=O)Nc1ccccc1OCCOCCO.
What is the InChIKey of N-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]acetamide?
The InChIKey is PHHCBEPFJOLXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-10(15)13-11-4-2-3-5-12(11)17-9-8-16-7-6-14/h2-5,14H,6-9H2,1H3,(H,13,15).
What are the key properties of N-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]acetamide?
N-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]acetamide has a molecular weight of 239.27 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]acetamide is sourced from PubChem (CID 61076230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).