(2S)-N-(2-ethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide

C21H27NO — CID 1228333

IUPAC(2S)-N-(2-ethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCCc1ccccc1NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C21H27NO/c1-5-18-8-6-7-9-20(18)22-21(23)16(4)19-12-10-17(11-13-19)14-15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,22,23)/t16-/m0/s1
InChIKeyALQBIVCVIVBKSZ-INIZCTEOSA-N
MW309.45 g/mol
LogP5.19
Rot. Bonds6

About (2S)-N-(2-ethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide

(2S)-N-(2-ethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 1228333) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is (2S)-N-(2-ethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-ethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID1228333
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name(2S)-N-(2-ethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCCc1ccccc1NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C21H27NO/c1-5-18-8-6-7-9-20(18)22-21(23)16(4)19-12-10-17(11-13-19)14-15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,22,23)/t16-/m0/s1
InChIKeyALQBIVCVIVBKSZ-INIZCTEOSA-N
XLogP5.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.45
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 14456233
2-[4-(2-methylpropyl)phenyl]-N-(2-propan-2-yloxyphenyl)propanamide
CID 54781980
N,2-bis[4-(2-methylpropyl)phenyl]propanamide
CID 3436173
N-(2,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 4681901
(2R)-N-(2,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228302
(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-[2-(4-methylpiperazine-1-carbonyl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54781982
(2S)-N-(2-hydroxy-4-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 7313981
(2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-phenylethyl]propanamide
CID 1207292
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674
(2S)-N-[4-(dimethylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 25019148

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-ethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of (2S)-N-(2-ethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide (CID 1228333) is (2S)-N-(2-ethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for (2S)-N-(2-ethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for (2S)-N-(2-ethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide is CCc1ccccc1NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1.
What is the InChIKey of (2S)-N-(2-ethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is ALQBIVCVIVBKSZ-INIZCTEOSA-N. The full InChI is InChI=1S/C21H27NO/c1-5-18-8-6-7-9-20(18)22-21(23)16(4)19-12-10-17(11-13-19)14-15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,22,23)/t16-/m0/s1.
What are the key properties of (2S)-N-(2-ethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide?
(2S)-N-(2-ethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 309.45 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-ethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 1228333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).