(2S)-2-(3-benzoylphenyl)-N-(2,5-dimethylphenyl)propanamide

C24H23NO2 — CID 1019515

IUPAC(2S)-2-(3-benzoylphenyl)-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)c1
InChIInChI=1S/C24H23NO2/c1-16-12-13-17(2)22(14-16)25-24(27)18(3)20-10-7-11-21(15-20)23(26)19-8-5-4-6-9-19/h4-15,18H,1-3H3,(H,25,27)/t18-/m0/s1
InChIKeyPNFVYLAHTQOSRA-SFHVURJKSA-N
MW357.45 g/mol
LogP5.28
Rot. Bonds5

About (2S)-2-(3-benzoylphenyl)-N-(2,5-dimethylphenyl)propanamide

(2S)-2-(3-benzoylphenyl)-N-(2,5-dimethylphenyl)propanamide (PubChem CID 1019515) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is (2S)-2-(3-benzoylphenyl)-N-(2,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-benzoylphenyl)-N-(2,5-dimethylphenyl)propanamide
PubChem CID1019515
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name(2S)-2-(3-benzoylphenyl)-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)c1
InChIInChI=1S/C24H23NO2/c1-16-12-13-17(2)22(14-16)25-24(27)18(3)20-10-7-11-21(15-20)23(26)19-8-5-4-6-9-19/h4-15,18H,1-3H3,(H,25,27)/t18-/m0/s1
InChIKeyPNFVYLAHTQOSRA-SFHVURJKSA-N
XLogP5.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3-benzoylphenyl)-N-(5-chloro-2-methylphenyl)propanamide
CID 98001096
(2S)-N-(4-acetamidophenyl)-2-(3-benzoylphenyl)propanamide
CID 1019404
ethyl 2-[2-(3-benzoylphenyl)propanoylamino]benzoate
CID 4101602
(2R)-N-(2,5-dimethylphenyl)-2-(3-fluoro-4-phenylphenyl)propanamide
CID 850717
(2S)-2-(3-benzoylphenyl)-N-(4-fluorophenyl)propanamide
CID 837003
(2S)-2-(3-benzoylphenyl)(113C)propanoic acid
CID 10706176
[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium
CID 9248578
2-bromo-N-(2,5-dimethylphenyl)-3-oxo-3-phenylpropanamide
CID 20762654
(2S,3R)-N-(2,5-dimethylphenyl)-3-methyl-2-phenylpentanamide
CID 8712534
CID 66964934
CID 66964934
CID 157056025
CID 157056025
[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 3-hydroxybenzoate
CID 7478355

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-benzoylphenyl)-N-(2,5-dimethylphenyl)propanamide?
The IUPAC name of (2S)-2-(3-benzoylphenyl)-N-(2,5-dimethylphenyl)propanamide (CID 1019515) is (2S)-2-(3-benzoylphenyl)-N-(2,5-dimethylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(3-benzoylphenyl)-N-(2,5-dimethylphenyl)propanamide?
The canonical SMILES for (2S)-2-(3-benzoylphenyl)-N-(2,5-dimethylphenyl)propanamide is Cc1ccc(C)c(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)c1.
What is the InChIKey of (2S)-2-(3-benzoylphenyl)-N-(2,5-dimethylphenyl)propanamide?
The InChIKey is PNFVYLAHTQOSRA-SFHVURJKSA-N. The full InChI is InChI=1S/C24H23NO2/c1-16-12-13-17(2)22(14-16)25-24(27)18(3)20-10-7-11-21(15-20)23(26)19-8-5-4-6-9-19/h4-15,18H,1-3H3,(H,25,27)/t18-/m0/s1.
What are the key properties of (2S)-2-(3-benzoylphenyl)-N-(2,5-dimethylphenyl)propanamide?
(2S)-2-(3-benzoylphenyl)-N-(2,5-dimethylphenyl)propanamide has a molecular weight of 357.45 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-benzoylphenyl)-N-(2,5-dimethylphenyl)propanamide is sourced from PubChem (CID 1019515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).