N-ethoxy-2-(4-ethoxyphenoxy)acetamide

C12H17NO4 — CID 60700690

IUPACN-ethoxy-2-(4-ethoxyphenoxy)acetamide
SMILESCCONC(=O)COc1ccc(OCC)cc1
InChIInChI=1S/C12H17NO4/c1-3-15-10-5-7-11(8-6-10)16-9-12(14)13-17-4-2/h5-8H,3-4,9H2,1-2H3,(H,13,14)
InChIKeyVAEAPKVUJOXSRD-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.53
Rot. Bonds7

About N-ethoxy-2-(4-ethoxyphenoxy)acetamide

N-ethoxy-2-(4-ethoxyphenoxy)acetamide (PubChem CID 60700690) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-ethoxy-2-(4-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-ethoxy-2-(4-ethoxyphenoxy)acetamide
PubChem CID60700690
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC NameN-ethoxy-2-(4-ethoxyphenoxy)acetamide
SMILESCCONC(=O)COc1ccc(OCC)cc1
InChIInChI=1S/C12H17NO4/c1-3-15-10-5-7-11(8-6-10)16-9-12(14)13-17-4-2/h5-8H,3-4,9H2,1-2H3,(H,13,14)
InChIKeyVAEAPKVUJOXSRD-UHFFFAOYSA-N
XLogP1.53
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-chlorophenoxy)-N-ethoxyacetamide
CID 60700548
2-(4-ethylphenoxy)-N-[2-(methylamino)-2-oxoethoxy]acetamide
CID 110495647
N-[3-(aminomethyl)pentan-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 119570439
2-(4-ethoxyphenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43390531
N-(2-aminophenyl)-2-(4-ethoxyphenoxy)acetamide
CID 16782338
2-(4-ethylphenoxy)-N-methoxyacetamide
CID 60716979
N-ethoxy-2-(2-fluorophenoxy)acetamide
CID 60712120
2-(4-fluorophenoxy)-N-(2-methoxyethoxy)acetamide
CID 79676788
2-(4-ethoxyphenoxy)-N-(1-pyridin-4-ylethyl)acetamide
CID 18160473
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-ethoxyphenoxy)acetamide
CID 9218863
2-(4-ethoxyphenoxy)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide
CID 7700204
N-but-3-enyl-2-(4-ethoxyphenoxy)acetamide
CID 113465944

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2-(4-ethoxyphenoxy)acetamide?
The IUPAC name of N-ethoxy-2-(4-ethoxyphenoxy)acetamide (CID 60700690) is N-ethoxy-2-(4-ethoxyphenoxy)acetamide.
What is the SMILES notation for N-ethoxy-2-(4-ethoxyphenoxy)acetamide?
The canonical SMILES for N-ethoxy-2-(4-ethoxyphenoxy)acetamide is CCONC(=O)COc1ccc(OCC)cc1.
What is the InChIKey of N-ethoxy-2-(4-ethoxyphenoxy)acetamide?
The InChIKey is VAEAPKVUJOXSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-3-15-10-5-7-11(8-6-10)16-9-12(14)13-17-4-2/h5-8H,3-4,9H2,1-2H3,(H,13,14).
What are the key properties of N-ethoxy-2-(4-ethoxyphenoxy)acetamide?
N-ethoxy-2-(4-ethoxyphenoxy)acetamide has a molecular weight of 239.27 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2-(4-ethoxyphenoxy)acetamide is sourced from PubChem (CID 60700690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).