N-[4-[3-(4-acetamidophenoxy)propoxy]phenyl]acetamide

C19H22N2O4 — CID 3987994

IUPACN-[4-[3-(4-acetamidophenoxy)propoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCCCOc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C19H22N2O4/c1-14(22)20-16-4-8-18(9-5-16)24-12-3-13-25-19-10-6-17(7-11-19)21-15(2)23/h4-11H,3,12-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyGQLHHLBGKVCSBJ-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.45
Rot. Bonds8

About N-[4-[3-(4-acetamidophenoxy)propoxy]phenyl]acetamide

N-[4-[3-(4-acetamidophenoxy)propoxy]phenyl]acetamide (PubChem CID 3987994) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[4-[3-(4-acetamidophenoxy)propoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(4-acetamidophenoxy)propoxy]phenyl]acetamide
PubChem CID3987994
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN-[4-[3-(4-acetamidophenoxy)propoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCCCOc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C19H22N2O4/c1-14(22)20-16-4-8-18(9-5-16)24-12-3-13-25-19-10-6-17(7-11-19)21-15(2)23/h4-11H,3,12-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyGQLHHLBGKVCSBJ-UHFFFAOYSA-N
XLogP3.45
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.45
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-[4-[3-(4-acetamidophenoxy)propoxy]phenyl]acetamide?
The IUPAC name of N-[4-[3-(4-acetamidophenoxy)propoxy]phenyl]acetamide (CID 3987994) is N-[4-[3-(4-acetamidophenoxy)propoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-(4-acetamidophenoxy)propoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[3-(4-acetamidophenoxy)propoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCCCOc2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-[4-[3-(4-acetamidophenoxy)propoxy]phenyl]acetamide?
The InChIKey is GQLHHLBGKVCSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-14(22)20-16-4-8-18(9-5-16)24-12-3-13-25-19-10-6-17(7-11-19)21-15(2)23/h4-11H,3,12-13H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[4-[3-(4-acetamidophenoxy)propoxy]phenyl]acetamide?
N-[4-[3-(4-acetamidophenoxy)propoxy]phenyl]acetamide has a molecular weight of 342.40 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-acetamidophenoxy)propoxy]phenyl]acetamide is sourced from PubChem (CID 3987994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).