N-(1-phenylethyl)-2-(2-phenylphenoxy)acetamide

C22H21NO2 — CID 4878277

IUPACN-(1-phenylethyl)-2-(2-phenylphenoxy)acetamide
SMILESCC(NC(=O)COc1ccccc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO2/c1-17(18-10-4-2-5-11-18)23-22(24)16-25-21-15-9-8-14-20(21)19-12-6-3-7-13-19/h2-15,17H,16H2,1H3,(H,23,24)
InChIKeyOXZZDHLEOMDCOJ-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.61
Rot. Bonds6

About N-(1-phenylethyl)-2-(2-phenylphenoxy)acetamide

N-(1-phenylethyl)-2-(2-phenylphenoxy)acetamide (PubChem CID 4878277) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(1-phenylethyl)-2-(2-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-2-(2-phenylphenoxy)acetamide
PubChem CID4878277
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC NameN-(1-phenylethyl)-2-(2-phenylphenoxy)acetamide
SMILESCC(NC(=O)COc1ccccc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO2/c1-17(18-10-4-2-5-11-18)23-22(24)16-25-21-15-9-8-14-20(21)19-12-6-3-7-13-19/h2-15,17H,16H2,1H3,(H,23,24)
InChIKeyOXZZDHLEOMDCOJ-UHFFFAOYSA-N
XLogP4.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-2-(2-phenylphenoxy)acetamide?
The IUPAC name of N-(1-phenylethyl)-2-(2-phenylphenoxy)acetamide (CID 4878277) is N-(1-phenylethyl)-2-(2-phenylphenoxy)acetamide.
What is the SMILES notation for N-(1-phenylethyl)-2-(2-phenylphenoxy)acetamide?
The canonical SMILES for N-(1-phenylethyl)-2-(2-phenylphenoxy)acetamide is CC(NC(=O)COc1ccccc1-c1ccccc1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-2-(2-phenylphenoxy)acetamide?
The InChIKey is OXZZDHLEOMDCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-17(18-10-4-2-5-11-18)23-22(24)16-25-21-15-9-8-14-20(21)19-12-6-3-7-13-19/h2-15,17H,16H2,1H3,(H,23,24).
What are the key properties of N-(1-phenylethyl)-2-(2-phenylphenoxy)acetamide?
N-(1-phenylethyl)-2-(2-phenylphenoxy)acetamide has a molecular weight of 331.42 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-2-(2-phenylphenoxy)acetamide is sourced from PubChem (CID 4878277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).