N-[(1S)-2-methyl-1-phenylpropyl]-4-phenylbenzamide

C23H23NO — CID 6594177

IUPACN-[(1S)-2-methyl-1-phenylpropyl]-4-phenylbenzamide
SMILESCC(C)[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C23H23NO/c1-17(2)22(20-11-7-4-8-12-20)24-23(25)21-15-13-19(14-16-21)18-9-5-3-6-10-18/h3-17,22H,1-2H3,(H,24,25)/t22-/m0/s1
InChIKeyHQEYWLJMKZBNBR-QFIPXVFZSA-N
MW329.44 g/mol
LogP5.48
Rot. Bonds5

About N-[(1S)-2-methyl-1-phenylpropyl]-4-phenylbenzamide

N-[(1S)-2-methyl-1-phenylpropyl]-4-phenylbenzamide (PubChem CID 6594177) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[(1S)-2-methyl-1-phenylpropyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(1S)-2-methyl-1-phenylpropyl]-4-phenylbenzamide
PubChem CID6594177
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC NameN-[(1S)-2-methyl-1-phenylpropyl]-4-phenylbenzamide
SMILESCC(C)[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C23H23NO/c1-17(2)22(20-11-7-4-8-12-20)24-23(25)21-15-13-19(14-16-21)18-9-5-3-6-10-18/h3-17,22H,1-2H3,(H,24,25)/t22-/m0/s1
InChIKeyHQEYWLJMKZBNBR-QFIPXVFZSA-N
XLogP5.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.44
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
CID 9050629
4-chloro-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
CID 9050596
N-[(1R)-2-methyl-1-phenylpropyl]-2-(4-phenylphenyl)acetamide
CID 2215611
N-[(1S,2R)-2-hydroxy-1-phenylpropyl]benzamide
CID 6934600
[(1R)-2-methyl-1-[(4-phenylbenzoyl)amino]propyl]phosphonic acid
CID 59956200
N-[(1S)-2,2-dichloro-1-phenylethyl]-4-methylbenzamide
CID 2303417
3-acetamido-4-methyl-N-(2-methyl-1-phenylpropyl)benzamide
CID 86998008
N-[(1R,2S,3R)-3-hydroxy-2-methyl-1,3-diphenylpropyl]benzamide
CID 134903315
4-bromo-N-[1-(4-phenylphenyl)ethyl]benzamide
CID 4267711
N-hydroxy-4-[2-methyl-1-(1-phenylethylcarbamoylamino)propyl]benzamide
CID 76779917
N-[(1R)-2-acetyl-3-oxo-1-phenylbutyl]benzamide
CID 11587624
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-methyl-1-phenylpropyl]-4-phenylbenzamide?
The IUPAC name of N-[(1S)-2-methyl-1-phenylpropyl]-4-phenylbenzamide (CID 6594177) is N-[(1S)-2-methyl-1-phenylpropyl]-4-phenylbenzamide.
What is the SMILES notation for N-[(1S)-2-methyl-1-phenylpropyl]-4-phenylbenzamide?
The canonical SMILES for N-[(1S)-2-methyl-1-phenylpropyl]-4-phenylbenzamide is CC(C)[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of N-[(1S)-2-methyl-1-phenylpropyl]-4-phenylbenzamide?
The InChIKey is HQEYWLJMKZBNBR-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H23NO/c1-17(2)22(20-11-7-4-8-12-20)24-23(25)21-15-13-19(14-16-21)18-9-5-3-6-10-18/h3-17,22H,1-2H3,(H,24,25)/t22-/m0/s1.
What are the key properties of N-[(1S)-2-methyl-1-phenylpropyl]-4-phenylbenzamide?
N-[(1S)-2-methyl-1-phenylpropyl]-4-phenylbenzamide has a molecular weight of 329.44 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-methyl-1-phenylpropyl]-4-phenylbenzamide is sourced from PubChem (CID 6594177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).