N-[2-(2-hydroxyethoxy)ethyl]-2-(2-methylphenoxy)acetamide

C13H19NO4 — CID 60654502

IUPACN-[2-(2-hydroxyethoxy)ethyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NCCOCCO
InChIInChI=1S/C13H19NO4/c1-11-4-2-3-5-12(11)18-10-13(16)14-6-8-17-9-7-15/h2-5,15H,6-10H2,1H3,(H,14,16)
InChIKeyAZVAEEFZLSQSME-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.50
Rot. Bonds8

About N-[2-(2-hydroxyethoxy)ethyl]-2-(2-methylphenoxy)acetamide

N-[2-(2-hydroxyethoxy)ethyl]-2-(2-methylphenoxy)acetamide (PubChem CID 60654502) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)ethyl]-2-(2-methylphenoxy)acetamide
PubChem CID60654502
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC NameN-[2-(2-hydroxyethoxy)ethyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NCCOCCO
InChIInChI=1S/C13H19NO4/c1-11-4-2-3-5-12(11)18-10-13(16)14-6-8-17-9-7-15/h2-5,15H,6-10H2,1H3,(H,14,16)
InChIKeyAZVAEEFZLSQSME-UHFFFAOYSA-N
XLogP0.50
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.50
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

2-(2-chlorophenoxy)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 60654382
N-[2-(2-fluorophenoxy)ethyl]-2-(2-methylphenoxy)acetamide
CID 18113601
2-(2-methylphenoxy)-N-pentylacetamide
CID 110756249
2-(2,3-diformylphenoxy)-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]acetamide
CID 178004235
N-[2-[[2-(2-methylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide
CID 47102199
1-[2-(2-hydroxyethoxy)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 108899714
N-[(3R)-3-hydroxy-3-phenylpropyl]-2-(2-methylphenoxy)acetamide
CID 96568300
N-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-2-(2-formyl-3-methylphenoxy)acetamide
CID 167136638
N-[(2R)-2-hydroxypropyl]-2-(2-methylphenoxy)acetamide
CID 83032241
2-amino-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119300070
N-[2-(2-methylphenoxy)ethyl]-3-phenylpropanamide
CID 600522
2-(methylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119742926

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-2-(2-methylphenoxy)acetamide (CID 60654502) is N-[2-(2-hydroxyethoxy)ethyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)NCCOCCO.
What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is AZVAEEFZLSQSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-11-4-2-3-5-12(11)18-10-13(16)14-6-8-17-9-7-15/h2-5,15H,6-10H2,1H3,(H,14,16).
What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]-2-(2-methylphenoxy)acetamide?
N-[2-(2-hydroxyethoxy)ethyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 253.30 g/mol, XLogP of 0.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)ethyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 60654502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).