(2S)-2-(2,5-dimethylphenoxy)-N-(2-phenylphenyl)propanamide

C23H23NO2 — CID 40866622

IUPAC(2S)-2-(2,5-dimethylphenoxy)-N-(2-phenylphenyl)propanamide
SMILESCc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)c1
InChIInChI=1S/C23H23NO2/c1-16-13-14-17(2)22(15-16)26-18(3)23(25)24-21-12-8-7-11-20(21)19-9-5-4-6-10-19/h4-15,18H,1-3H3,(H,24,25)/t18-/m0/s1
InChIKeyJPKKVEXRBSZLOE-SFHVURJKSA-N
MW345.44 g/mol
LogP5.38
Rot. Bonds5

About (2S)-2-(2,5-dimethylphenoxy)-N-(2-phenylphenyl)propanamide

(2S)-2-(2,5-dimethylphenoxy)-N-(2-phenylphenyl)propanamide (PubChem CID 40866622) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is (2S)-2-(2,5-dimethylphenoxy)-N-(2-phenylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2,5-dimethylphenoxy)-N-(2-phenylphenyl)propanamide
PubChem CID40866622
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name(2S)-2-(2,5-dimethylphenoxy)-N-(2-phenylphenyl)propanamide
SMILESCc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)c1
InChIInChI=1S/C23H23NO2/c1-16-13-14-17(2)22(15-16)26-18(3)23(25)24-21-12-8-7-11-20(21)19-9-5-4-6-10-19/h4-15,18H,1-3H3,(H,24,25)/t18-/m0/s1
InChIKeyJPKKVEXRBSZLOE-SFHVURJKSA-N
XLogP5.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.44
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-phenylphenyl)propanamide
CID 133162179
(2R)-2-(2,5-dimethylphenoxy)-N-phenylpropanamide
CID 7379538
N-[2-(aminomethyl)phenyl]-2-(2,5-dimethylphenoxy)propanamide
CID 16793258
2-(2,5-dimethylphenoxy)-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]propanamide
CID 4945097
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2-phenylphenyl)propanamide
CID 7794737
N-(4-anilinophenyl)-2-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide
CID 4944912
(2S)-2-(2-formylphenoxy)-N-(2-phenylphenyl)propanamide
CID 7762821
N-(4-acetamidophenyl)-2-(2,5-dimethylphenoxy)propanamide
CID 4944630
2-(2,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 4944710
(2R)-2-(3,5-dichlorophenoxy)-N-(2-phenylphenyl)propanamide
CID 7467157
2-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]oxy-N-phenylbenzamide
CID 41131403
N-(2,5-dichlorophenyl)-2-(2,5-dimethylphenoxy)propanamide
CID 4944864

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,5-dimethylphenoxy)-N-(2-phenylphenyl)propanamide?
The IUPAC name of (2S)-2-(2,5-dimethylphenoxy)-N-(2-phenylphenyl)propanamide (CID 40866622) is (2S)-2-(2,5-dimethylphenoxy)-N-(2-phenylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(2,5-dimethylphenoxy)-N-(2-phenylphenyl)propanamide?
The canonical SMILES for (2S)-2-(2,5-dimethylphenoxy)-N-(2-phenylphenyl)propanamide is Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)c1.
What is the InChIKey of (2S)-2-(2,5-dimethylphenoxy)-N-(2-phenylphenyl)propanamide?
The InChIKey is JPKKVEXRBSZLOE-SFHVURJKSA-N. The full InChI is InChI=1S/C23H23NO2/c1-16-13-14-17(2)22(15-16)26-18(3)23(25)24-21-12-8-7-11-20(21)19-9-5-4-6-10-19/h4-15,18H,1-3H3,(H,24,25)/t18-/m0/s1.
What are the key properties of (2S)-2-(2,5-dimethylphenoxy)-N-(2-phenylphenyl)propanamide?
(2S)-2-(2,5-dimethylphenoxy)-N-(2-phenylphenyl)propanamide has a molecular weight of 345.44 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,5-dimethylphenoxy)-N-(2-phenylphenyl)propanamide is sourced from PubChem (CID 40866622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).