2-[2-methoxy-5-[(2-phenylethylamino)methyl]phenoxy]acetamide

C18H22N2O3 — CID 2217311

IUPAC2-[2-methoxy-5-[(2-phenylethylamino)methyl]phenoxy]acetamide
SMILESCOc1ccc(CNCCc2ccccc2)cc1OCC(N)=O
InChIInChI=1S/C18H22N2O3/c1-22-16-8-7-15(11-17(16)23-13-18(19)21)12-20-10-9-14-5-3-2-4-6-14/h2-8,11,20H,9-10,12-13H2,1H3,(H2,19,21)
InChIKeyOUZGIOCIMGNKLC-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.89
Rot. Bonds9

About 2-[2-methoxy-5-[(2-phenylethylamino)methyl]phenoxy]acetamide

2-[2-methoxy-5-[(2-phenylethylamino)methyl]phenoxy]acetamide (PubChem CID 2217311) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[2-methoxy-5-[(2-phenylethylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-methoxy-5-[(2-phenylethylamino)methyl]phenoxy]acetamide
PubChem CID2217311
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name2-[2-methoxy-5-[(2-phenylethylamino)methyl]phenoxy]acetamide
SMILESCOc1ccc(CNCCc2ccccc2)cc1OCC(N)=O
InChIInChI=1S/C18H22N2O3/c1-22-16-8-7-15(11-17(16)23-13-18(19)21)12-20-10-9-14-5-3-2-4-6-14/h2-8,11,20H,9-10,12-13H2,1H3,(H2,19,21)
InChIKeyOUZGIOCIMGNKLC-UHFFFAOYSA-N
XLogP1.89
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.89
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 2-[2-methoxy-5-[(2-phenylethylamino)methyl]phenoxy]acetamide?
The IUPAC name of 2-[2-methoxy-5-[(2-phenylethylamino)methyl]phenoxy]acetamide (CID 2217311) is 2-[2-methoxy-5-[(2-phenylethylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-methoxy-5-[(2-phenylethylamino)methyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-methoxy-5-[(2-phenylethylamino)methyl]phenoxy]acetamide is COc1ccc(CNCCc2ccccc2)cc1OCC(N)=O.
What is the InChIKey of 2-[2-methoxy-5-[(2-phenylethylamino)methyl]phenoxy]acetamide?
The InChIKey is OUZGIOCIMGNKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-22-16-8-7-15(11-17(16)23-13-18(19)21)12-20-10-9-14-5-3-2-4-6-14/h2-8,11,20H,9-10,12-13H2,1H3,(H2,19,21).
What are the key properties of 2-[2-methoxy-5-[(2-phenylethylamino)methyl]phenoxy]acetamide?
2-[2-methoxy-5-[(2-phenylethylamino)methyl]phenoxy]acetamide has a molecular weight of 314.39 g/mol, XLogP of 1.89, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-5-[(2-phenylethylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 2217311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).