(2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-phenylethyl)propanamide

C21H27NO — CID 1228331

IUPAC(2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-phenylethyl)propanamide
SMILESCC(C)Cc1ccc([C@@H](C)C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C21H27NO/c1-16(2)15-19-9-11-20(12-10-19)17(3)21(23)22-14-13-18-7-5-4-6-8-18/h4-12,16-17H,13-15H2,1-3H3,(H,22,23)/t17-/m1/s1
InChIKeyJEPJJTWGZBNJPF-QGZVFWFLSA-N
MW309.45 g/mol
LogP4.35
Rot. Bonds7

About (2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-phenylethyl)propanamide

(2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-phenylethyl)propanamide (PubChem CID 1228331) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is (2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-phenylethyl)propanamide
PubChem CID1228331
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name(2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-phenylethyl)propanamide
SMILESCC(C)Cc1ccc([C@@H](C)C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C21H27NO/c1-16(2)15-19-9-11-20(12-10-19)17(3)21(23)22-14-13-18-7-5-4-6-8-18/h4-12,16-17H,13-15H2,1-3H3,(H,22,23)/t17-/m1/s1
InChIKeyJEPJJTWGZBNJPF-QGZVFWFLSA-N
XLogP4.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]propanoic acid
CID 85049753
2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]acetic acid
CID 101407950
(2R)-N-[3-(methylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11482780
(2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-phenylethyl]propanamide
CID 1207292
N-(3,3-dimethylbutyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 118460057
(2R)-N-ethyl-2-[4-(2-methylpropyl)phenyl]propanamide;molecular hydrogen
CID 166540473
trimethyl-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propyl]azanium
CID 10274425
2-[4-(2-methylpropyl)phenyl]ethylcarbamothioic S-acid
CID 115170240
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674
N-[2-(2-hydroxyethoxy)ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 85068622
[2-oxo-2-(2-phenylethylamino)ethyl] 4-(2-methylpropyl)benzoate
CID 8538238
2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride
CID 174557988

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-phenylethyl)propanamide?
The IUPAC name of (2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-phenylethyl)propanamide (CID 1228331) is (2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for (2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-phenylethyl)propanamide?
The canonical SMILES for (2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-phenylethyl)propanamide is CC(C)Cc1ccc([C@@H](C)C(=O)NCCc2ccccc2)cc1.
What is the InChIKey of (2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-phenylethyl)propanamide?
The InChIKey is JEPJJTWGZBNJPF-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H27NO/c1-16(2)15-19-9-11-20(12-10-19)17(3)21(23)22-14-13-18-7-5-4-6-8-18/h4-12,16-17H,13-15H2,1-3H3,(H,22,23)/t17-/m1/s1.
What are the key properties of (2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-phenylethyl)propanamide?
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-phenylethyl)propanamide has a molecular weight of 309.45 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 1228331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).