2-(3-ethylphenoxy)-N-(3-methoxypropyl)acetamide

C14H21NO3 — CID 60623442

IUPAC2-(3-ethylphenoxy)-N-(3-methoxypropyl)acetamide
SMILESCCc1cccc(OCC(=O)NCCCOC)c1
InChIInChI=1S/C14H21NO3/c1-3-12-6-4-7-13(10-12)18-11-14(16)15-8-5-9-17-2/h4,6-7,10H,3,5,8-9,11H2,1-2H3,(H,15,16)
InChIKeySCUBTLZYTNIRKZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.78
Rot. Bonds8

About 2-(3-ethylphenoxy)-N-(3-methoxypropyl)acetamide

2-(3-ethylphenoxy)-N-(3-methoxypropyl)acetamide (PubChem CID 60623442) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(3-ethylphenoxy)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(3-ethylphenoxy)-N-(3-methoxypropyl)acetamide
PubChem CID60623442
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-(3-ethylphenoxy)-N-(3-methoxypropyl)acetamide
SMILESCCc1cccc(OCC(=O)NCCCOC)c1
InChIInChI=1S/C14H21NO3/c1-3-12-6-4-7-13(10-12)18-11-14(16)15-8-5-9-17-2/h4,6-7,10H,3,5,8-9,11H2,1-2H3,(H,15,16)
InChIKeySCUBTLZYTNIRKZ-UHFFFAOYSA-N
XLogP1.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-fluorophenoxy)-N-(3-methoxypropyl)acetamide
CID 60626010
2-(3-aminophenoxy)-N-(3-methoxypropyl)acetamide
CID 61036344
methyl 3-[[2-(3-ethylphenoxy)acetyl]amino]propanoate
CID 60637022
2-[3-(1-hydroxyethyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 61486589
2-(3-butoxyphenoxy)-N-(2-methoxyethyl)acetamide
CID 4733178
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
N-[2-(3-ethylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113100017
2-(3-ethylphenoxy)-N'-methylacetohydrazide
CID 116820670
2-(3-ethylphenoxy)-N-prop-2-enylacetamide
CID 19177242
2-[3-(hydroxymethyl)phenoxy]-N-propylacetamide
CID 28561994
2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 95172596
N'-acetyl-2-(3-ethylphenoxy)acetohydrazide
CID 43011736

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenoxy)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(3-ethylphenoxy)-N-(3-methoxypropyl)acetamide (CID 60623442) is 2-(3-ethylphenoxy)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(3-ethylphenoxy)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(3-ethylphenoxy)-N-(3-methoxypropyl)acetamide is CCc1cccc(OCC(=O)NCCCOC)c1.
What is the InChIKey of 2-(3-ethylphenoxy)-N-(3-methoxypropyl)acetamide?
The InChIKey is SCUBTLZYTNIRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-12-6-4-7-13(10-12)18-11-14(16)15-8-5-9-17-2/h4,6-7,10H,3,5,8-9,11H2,1-2H3,(H,15,16).
What are the key properties of 2-(3-ethylphenoxy)-N-(3-methoxypropyl)acetamide?
2-(3-ethylphenoxy)-N-(3-methoxypropyl)acetamide has a molecular weight of 251.33 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenoxy)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 60623442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).