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

C21H27NO — CID 1228302

IUPAC(2R)-N-(2,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCc1ccc(NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)c(C)c1
InChIInChI=1S/C21H27NO/c1-14(2)12-18-7-9-19(10-8-18)17(5)21(23)22-20-11-6-15(3)13-16(20)4/h6-11,13-14,17H,12H2,1-5H3,(H,22,23)/t17-/m1/s1
InChIKeyLHIAKDIAIQTQKL-QGZVFWFLSA-N
MW309.45 g/mol
LogP5.24
Rot. Bonds5

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

(2R)-N-(2,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 1228302) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is (2R)-N-(2,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-N-(2,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID1228302
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name(2R)-N-(2,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCc1ccc(NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)c(C)c1
InChIInChI=1S/C21H27NO/c1-14(2)12-18-7-9-19(10-8-18)17(5)21(23)22-20-11-6-15(3)13-16(20)4/h6-11,13-14,17H,12H2,1-5H3,(H,22,23)/t17-/m1/s1
InChIKeyLHIAKDIAIQTQKL-QGZVFWFLSA-N
XLogP5.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.45
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 4681901
(2S)-N-(2-hydroxy-4-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 7313981
N-(2-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 14456233
(2R)-N-(3,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228330
(2S)-N-(3,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228329
(2S)-N-(3,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228270
N,2-bis[4-(2-methylpropyl)phenyl]propanamide
CID 3436173
N-[[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782501
(2S)-N-(2-ethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228333
(2,4-dimethylphenyl) 2-[4-(2-methylpropyl)phenyl]propanoate
CID 4073405
2-[4-(2-methylpropyl)phenyl]-N-[4-[4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]phenyl]phenyl]propanamide
CID 54781151
N-[4-methyl-3-(propanoylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782347

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of (2R)-N-(2,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide (CID 1228302) is (2R)-N-(2,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for (2R)-N-(2,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for (2R)-N-(2,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide is Cc1ccc(NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)c(C)c1.
What is the InChIKey of (2R)-N-(2,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is LHIAKDIAIQTQKL-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H27NO/c1-14(2)12-18-7-9-19(10-8-18)17(5)21(23)22-20-11-6-15(3)13-16(20)4/h6-11,13-14,17H,12H2,1-5H3,(H,22,23)/t17-/m1/s1.
What are the key properties of (2R)-N-(2,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide?
(2R)-N-(2,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 309.45 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 1228302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).