N-[2-[4-[(4-acetamidophenyl)methyl]phenoxy]ethyl]acetamide

C19H22N2O3 — CID 162664234

IUPACN-[2-[4-[(4-acetamidophenyl)methyl]phenoxy]ethyl]acetamide
SMILESCC(=O)NCCOc1ccc(Cc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C19H22N2O3/c1-14(22)20-11-12-24-19-9-5-17(6-10-19)13-16-3-7-18(8-4-16)21-15(2)23/h3-10H,11-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyHHEJQNUYMUPCTF-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.75
Rot. Bonds7

About N-[2-[4-[(4-acetamidophenyl)methyl]phenoxy]ethyl]acetamide

N-[2-[4-[(4-acetamidophenyl)methyl]phenoxy]ethyl]acetamide (PubChem CID 162664234) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[2-[4-[(4-acetamidophenyl)methyl]phenoxy]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[(4-acetamidophenyl)methyl]phenoxy]ethyl]acetamide
PubChem CID162664234
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[2-[4-[(4-acetamidophenyl)methyl]phenoxy]ethyl]acetamide
SMILESCC(=O)NCCOc1ccc(Cc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C19H22N2O3/c1-14(22)20-11-12-24-19-9-5-17(6-10-19)13-16-3-7-18(8-4-16)21-15(2)23/h3-10H,11-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyHHEJQNUYMUPCTF-UHFFFAOYSA-N
XLogP2.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[4-[(4-acetamidophenyl)methyl]phenoxy]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 11501341
CID 11501341
CID 54986
CID 54986
CID 90303
CID 90303
CID 22690393
CID 22690393
CID 53257383
CID 53257383
CID 22692237
CID 22692237
CID 54727985
CID 54727985
CID 672272
CID 672272
CID 24763223
CID 24763223
CID 4790602
CID 4790602
CID 44264818
CID 44264818
CID 53321223
CID 53321223

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(4-acetamidophenyl)methyl]phenoxy]ethyl]acetamide?
The IUPAC name of N-[2-[4-[(4-acetamidophenyl)methyl]phenoxy]ethyl]acetamide (CID 162664234) is N-[2-[4-[(4-acetamidophenyl)methyl]phenoxy]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-[(4-acetamidophenyl)methyl]phenoxy]ethyl]acetamide?
The canonical SMILES for N-[2-[4-[(4-acetamidophenyl)methyl]phenoxy]ethyl]acetamide is CC(=O)NCCOc1ccc(Cc2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-[2-[4-[(4-acetamidophenyl)methyl]phenoxy]ethyl]acetamide?
The InChIKey is HHEJQNUYMUPCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14(22)20-11-12-24-19-9-5-17(6-10-19)13-16-3-7-18(8-4-16)21-15(2)23/h3-10H,11-13H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[4-[(4-acetamidophenyl)methyl]phenoxy]ethyl]acetamide?
N-[2-[4-[(4-acetamidophenyl)methyl]phenoxy]ethyl]acetamide has a molecular weight of 326.40 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(4-acetamidophenyl)methyl]phenoxy]ethyl]acetamide is sourced from PubChem (CID 162664234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).