N-[2-(4-propylphenoxy)ethyl]acetamide

C13H19NO2 — CID 2306765

IUPACN-[2-(4-propylphenoxy)ethyl]acetamide
SMILESCCCc1ccc(OCCNC(C)=O)cc1
InChIInChI=1S/C13H19NO2/c1-3-4-12-5-7-13(8-6-12)16-10-9-14-11(2)15/h5-8H,3-4,9-10H2,1-2H3,(H,14,15)
InChIKeyHRYDVTMVHGQPEJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.15
Rot. Bonds6

About N-[2-(4-propylphenoxy)ethyl]acetamide

N-[2-(4-propylphenoxy)ethyl]acetamide (PubChem CID 2306765) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[2-(4-propylphenoxy)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-propylphenoxy)ethyl]acetamide
PubChem CID2306765
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-[2-(4-propylphenoxy)ethyl]acetamide
SMILESCCCc1ccc(OCCNC(C)=O)cc1
InChIInChI=1S/C13H19NO2/c1-3-4-12-5-7-13(8-6-12)16-10-9-14-11(2)15/h5-8H,3-4,9-10H2,1-2H3,(H,14,15)
InChIKeyHRYDVTMVHGQPEJ-UHFFFAOYSA-N
XLogP2.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-propylphenoxy)ethyl]acetamide?
The IUPAC name of N-[2-(4-propylphenoxy)ethyl]acetamide (CID 2306765) is N-[2-(4-propylphenoxy)ethyl]acetamide.
What is the SMILES notation for N-[2-(4-propylphenoxy)ethyl]acetamide?
The canonical SMILES for N-[2-(4-propylphenoxy)ethyl]acetamide is CCCc1ccc(OCCNC(C)=O)cc1.
What is the InChIKey of N-[2-(4-propylphenoxy)ethyl]acetamide?
The InChIKey is HRYDVTMVHGQPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-4-12-5-7-13(8-6-12)16-10-9-14-11(2)15/h5-8H,3-4,9-10H2,1-2H3,(H,14,15).
What are the key properties of N-[2-(4-propylphenoxy)ethyl]acetamide?
N-[2-(4-propylphenoxy)ethyl]acetamide has a molecular weight of 221.30 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-propylphenoxy)ethyl]acetamide is sourced from PubChem (CID 2306765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).