(2S)-N-(3,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide

C21H27NO — CID 1228270

IUPAC(2S)-N-(3,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)cc1C
InChIInChI=1S/C21H27NO/c1-14(2)12-18-7-9-19(10-8-18)17(5)21(23)22-20-11-6-15(3)16(4)13-20/h6-11,13-14,17H,12H2,1-5H3,(H,22,23)/t17-/m0/s1
InChIKeyIJWWDQHXYIOUEW-KRWDZBQOSA-N
MW309.45 g/mol
LogP5.24
Rot. Bonds5

About (2S)-N-(3,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide

(2S)-N-(3,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 1228270) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is (2S)-N-(3,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-N-(3,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID1228270
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name(2S)-N-(3,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)cc1C
InChIInChI=1S/C21H27NO/c1-14(2)12-18-7-9-19(10-8-18)17(5)21(23)22-20-11-6-15(3)16(4)13-20/h6-11,13-14,17H,12H2,1-5H3,(H,22,23)/t17-/m0/s1
InChIKeyIJWWDQHXYIOUEW-KRWDZBQOSA-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-bis[4-(2-methylpropyl)phenyl]propanamide
CID 3436173
N-[4-methyl-3-(propanoylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782347
(2S)-N-(3,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228329
(2R)-N-(3,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228330
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide
CID 7313989
2-[4-(2-methylpropyl)phenyl]-N-[4-[4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]phenyl]phenyl]propanamide
CID 54781151
N-(3-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 5183452
N-(2,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 4681901
(2R)-N-(3-hydroxyphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 675116
(2S)-N-[4-(dimethylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 25019148
2-[4-(2-methylpropyl)phenyl]-N-[3-(propanoylamino)phenyl]propanamide
CID 54782349
(2R)-N-(2,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228302

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of (2S)-N-(3,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide (CID 1228270) is (2S)-N-(3,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for (2S)-N-(3,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for (2S)-N-(3,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide is Cc1ccc(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)cc1C.
What is the InChIKey of (2S)-N-(3,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is IJWWDQHXYIOUEW-KRWDZBQOSA-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)16(4)13-20/h6-11,13-14,17H,12H2,1-5H3,(H,22,23)/t17-/m0/s1.
What are the key properties of (2S)-N-(3,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide?
(2S)-N-(3,4-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 (2S)-N-(3,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 1228270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).