2-(4-ethylphenoxy)-N-propan-2-ylacetamide

C13H19NO2 — CID 1121363

IUPAC2-(4-ethylphenoxy)-N-propan-2-ylacetamide
SMILESCCc1ccc(OCC(=O)NC(C)C)cc1
InChIInChI=1S/C13H19NO2/c1-4-11-5-7-12(8-6-11)16-9-13(15)14-10(2)3/h5-8,10H,4,9H2,1-3H3,(H,14,15)
InChIKeySDOLZAAKCZLEKF-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.15
Rot. Bonds5

About 2-(4-ethylphenoxy)-N-propan-2-ylacetamide

2-(4-ethylphenoxy)-N-propan-2-ylacetamide (PubChem CID 1121363) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-propan-2-ylacetamide
PubChem CID1121363
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(4-ethylphenoxy)-N-propan-2-ylacetamide
SMILESCCc1ccc(OCC(=O)NC(C)C)cc1
InChIInChI=1S/C13H19NO2/c1-4-11-5-7-12(8-6-11)16-9-13(15)14-10(2)3/h5-8,10H,4,9H2,1-3H3,(H,14,15)
InChIKeySDOLZAAKCZLEKF-UHFFFAOYSA-N
XLogP2.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-propan-2-ylacetamide (CID 1121363) is 2-(4-ethylphenoxy)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-propan-2-ylacetamide is CCc1ccc(OCC(=O)NC(C)C)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-propan-2-ylacetamide?
The InChIKey is SDOLZAAKCZLEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-11-5-7-12(8-6-11)16-9-13(15)14-10(2)3/h5-8,10H,4,9H2,1-3H3,(H,14,15).
What are the key properties of 2-(4-ethylphenoxy)-N-propan-2-ylacetamide?
2-(4-ethylphenoxy)-N-propan-2-ylacetamide has a molecular weight of 221.30 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-propan-2-ylacetamide is sourced from PubChem (CID 1121363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).