N-[4-[2-(2-acetylphenoxy)ethoxy]phenyl]acetamide

C18H19NO4 — CID 2527725

IUPACN-[4-[2-(2-acetylphenoxy)ethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCCOc2ccccc2C(C)=O)cc1
InChIInChI=1S/C18H19NO4/c1-13(20)17-5-3-4-6-18(17)23-12-11-22-16-9-7-15(8-10-16)19-14(2)21/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyKFEDMXNXYWIKKN-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.31
Rot. Bonds7

About N-[4-[2-(2-acetylphenoxy)ethoxy]phenyl]acetamide

N-[4-[2-(2-acetylphenoxy)ethoxy]phenyl]acetamide (PubChem CID 2527725) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is N-[4-[2-(2-acetylphenoxy)ethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(2-acetylphenoxy)ethoxy]phenyl]acetamide
PubChem CID2527725
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC NameN-[4-[2-(2-acetylphenoxy)ethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCCOc2ccccc2C(C)=O)cc1
InChIInChI=1S/C18H19NO4/c1-13(20)17-5-3-4-6-18(17)23-12-11-22-16-9-7-15(8-10-16)19-14(2)21/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyKFEDMXNXYWIKKN-UHFFFAOYSA-N
XLogP3.31
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
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-[4-[2-(2-acetylphenoxy)ethoxy]phenyl]acetamide?
The IUPAC name of N-[4-[2-(2-acetylphenoxy)ethoxy]phenyl]acetamide (CID 2527725) is N-[4-[2-(2-acetylphenoxy)ethoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(2-acetylphenoxy)ethoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(2-acetylphenoxy)ethoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCCOc2ccccc2C(C)=O)cc1.
What is the InChIKey of N-[4-[2-(2-acetylphenoxy)ethoxy]phenyl]acetamide?
The InChIKey is KFEDMXNXYWIKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-13(20)17-5-3-4-6-18(17)23-12-11-22-16-9-7-15(8-10-16)19-14(2)21/h3-10H,11-12H2,1-2H3,(H,19,21).
What are the key properties of N-[4-[2-(2-acetylphenoxy)ethoxy]phenyl]acetamide?
N-[4-[2-(2-acetylphenoxy)ethoxy]phenyl]acetamide has a molecular weight of 313.35 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-acetylphenoxy)ethoxy]phenyl]acetamide is sourced from PubChem (CID 2527725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).