N-[(4-methylphenyl)methyl]-2-(2-phenylphenoxy)acetamide

C22H21NO2 — CID 2476598

IUPACN-[(4-methylphenyl)methyl]-2-(2-phenylphenoxy)acetamide
SMILESCc1ccc(CNC(=O)COc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C22H21NO2/c1-17-11-13-18(14-12-17)15-23-22(24)16-25-21-10-6-5-9-20(21)19-7-3-2-4-8-19/h2-14H,15-16H2,1H3,(H,23,24)
InChIKeyZCOIQORFVUATMW-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.36
Rot. Bonds6

About N-[(4-methylphenyl)methyl]-2-(2-phenylphenoxy)acetamide

N-[(4-methylphenyl)methyl]-2-(2-phenylphenoxy)acetamide (PubChem CID 2476598) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-(2-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-(2-phenylphenoxy)acetamide
PubChem CID2476598
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC NameN-[(4-methylphenyl)methyl]-2-(2-phenylphenoxy)acetamide
SMILESCc1ccc(CNC(=O)COc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C22H21NO2/c1-17-11-13-18(14-12-17)15-23-22(24)16-25-21-10-6-5-9-20(21)19-7-3-2-4-8-19/h2-14H,15-16H2,1H3,(H,23,24)
InChIKeyZCOIQORFVUATMW-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-(2-phenylphenoxy)acetamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-(2-phenylphenoxy)acetamide (CID 2476598) is N-[(4-methylphenyl)methyl]-2-(2-phenylphenoxy)acetamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-(2-phenylphenoxy)acetamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-(2-phenylphenoxy)acetamide is Cc1ccc(CNC(=O)COc2ccccc2-c2ccccc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-(2-phenylphenoxy)acetamide?
The InChIKey is ZCOIQORFVUATMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-17-11-13-18(14-12-17)15-23-22(24)16-25-21-10-6-5-9-20(21)19-7-3-2-4-8-19/h2-14H,15-16H2,1H3,(H,23,24).
What are the key properties of N-[(4-methylphenyl)methyl]-2-(2-phenylphenoxy)acetamide?
N-[(4-methylphenyl)methyl]-2-(2-phenylphenoxy)acetamide has a molecular weight of 331.42 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-(2-phenylphenoxy)acetamide is sourced from PubChem (CID 2476598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).