3-[2-methyl-3-(4-phenylphenyl)phenyl]propanamide

C22H21NO — CID 67666243

IUPAC3-[2-methyl-3-(4-phenylphenyl)phenyl]propanamide
SMILESCc1c(CCC(N)=O)cccc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H21NO/c1-16-17(14-15-22(23)24)8-5-9-21(16)20-12-10-19(11-13-20)18-6-3-2-4-7-18/h2-13H,14-15H2,1H3,(H2,23,24)
InChIKeyHZOYGMYWLCSNFQ-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.75
Rot. Bonds5

About 3-[2-methyl-3-(4-phenylphenyl)phenyl]propanamide

3-[2-methyl-3-(4-phenylphenyl)phenyl]propanamide (PubChem CID 67666243) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-[2-methyl-3-(4-phenylphenyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[2-methyl-3-(4-phenylphenyl)phenyl]propanamide
PubChem CID67666243
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name3-[2-methyl-3-(4-phenylphenyl)phenyl]propanamide
SMILESCc1c(CCC(N)=O)cccc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H21NO/c1-16-17(14-15-22(23)24)8-5-9-21(16)20-12-10-19(11-13-20)18-6-3-2-4-7-18/h2-13H,14-15H2,1H3,(H2,23,24)
InChIKeyHZOYGMYWLCSNFQ-UHFFFAOYSA-N
XLogP4.75
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-3-(4-phenylphenyl)phenyl]propanamide?
The IUPAC name of 3-[2-methyl-3-(4-phenylphenyl)phenyl]propanamide (CID 67666243) is 3-[2-methyl-3-(4-phenylphenyl)phenyl]propanamide.
What is the SMILES notation for 3-[2-methyl-3-(4-phenylphenyl)phenyl]propanamide?
The canonical SMILES for 3-[2-methyl-3-(4-phenylphenyl)phenyl]propanamide is Cc1c(CCC(N)=O)cccc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-[2-methyl-3-(4-phenylphenyl)phenyl]propanamide?
The InChIKey is HZOYGMYWLCSNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO/c1-16-17(14-15-22(23)24)8-5-9-21(16)20-12-10-19(11-13-20)18-6-3-2-4-7-18/h2-13H,14-15H2,1H3,(H2,23,24).
What are the key properties of 3-[2-methyl-3-(4-phenylphenyl)phenyl]propanamide?
3-[2-methyl-3-(4-phenylphenyl)phenyl]propanamide has a molecular weight of 315.42 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-3-(4-phenylphenyl)phenyl]propanamide is sourced from PubChem (CID 67666243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).