N-[3-[2-(3-acetamidophenoxy)ethoxy]phenyl]acetamide

C18H20N2O4 — CID 2802155

IUPACN-[3-[2-(3-acetamidophenoxy)ethoxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCCOc2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C18H20N2O4/c1-13(21)19-15-5-3-7-17(11-15)23-9-10-24-18-8-4-6-16(12-18)20-14(2)22/h3-8,11-12H,9-10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyJWNGEAIYEQJHSS-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.06
Rot. Bonds7

About N-[3-[2-(3-acetamidophenoxy)ethoxy]phenyl]acetamide

N-[3-[2-(3-acetamidophenoxy)ethoxy]phenyl]acetamide (PubChem CID 2802155) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[3-[2-(3-acetamidophenoxy)ethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(3-acetamidophenoxy)ethoxy]phenyl]acetamide
PubChem CID2802155
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-[3-[2-(3-acetamidophenoxy)ethoxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCCOc2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C18H20N2O4/c1-13(21)19-15-5-3-7-17(11-15)23-9-10-24-18-8-4-6-16(12-18)20-14(2)22/h3-8,11-12H,9-10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyJWNGEAIYEQJHSS-UHFFFAOYSA-N
XLogP3.06
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.06
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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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3-acetamidophenoxy)ethoxy]phenyl]acetamide?
The IUPAC name of N-[3-[2-(3-acetamidophenoxy)ethoxy]phenyl]acetamide (CID 2802155) is N-[3-[2-(3-acetamidophenoxy)ethoxy]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-(3-acetamidophenoxy)ethoxy]phenyl]acetamide?
The canonical SMILES for N-[3-[2-(3-acetamidophenoxy)ethoxy]phenyl]acetamide is CC(=O)Nc1cccc(OCCOc2cccc(NC(C)=O)c2)c1.
What is the InChIKey of N-[3-[2-(3-acetamidophenoxy)ethoxy]phenyl]acetamide?
The InChIKey is JWNGEAIYEQJHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-13(21)19-15-5-3-7-17(11-15)23-9-10-24-18-8-4-6-16(12-18)20-14(2)22/h3-8,11-12H,9-10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[3-[2-(3-acetamidophenoxy)ethoxy]phenyl]acetamide?
N-[3-[2-(3-acetamidophenoxy)ethoxy]phenyl]acetamide has a molecular weight of 328.37 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3-acetamidophenoxy)ethoxy]phenyl]acetamide is sourced from PubChem (CID 2802155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).