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

C21H28N2O — CID 25019148

IUPAC(2S)-N-[4-(dimethylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C21H28N2O/c1-15(2)14-17-6-8-18(9-7-17)16(3)21(24)22-19-10-12-20(13-11-19)23(4)5/h6-13,15-16H,14H2,1-5H3,(H,22,24)/t16-/m0/s1
InChIKeyXJGUXBHSPUYERW-INIZCTEOSA-N
MW324.47 g/mol
LogP4.69
Rot. Bonds6

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

(2S)-N-[4-(dimethylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 25019148) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is (2S)-N-[4-(dimethylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-N-[4-(dimethylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID25019148
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name(2S)-N-[4-(dimethylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C21H28N2O/c1-15(2)14-17-6-8-18(9-7-17)16(3)21(24)22-19-10-12-20(13-11-19)23(4)5/h6-13,15-16H,14H2,1-5H3,(H,22,24)/t16-/m0/s1
InChIKeyXJGUXBHSPUYERW-INIZCTEOSA-N
XLogP4.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N,2-bis[4-(2-methylpropyl)phenyl]propanamide
CID 3436173
(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
(2S)-N-(3,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228270
(2S)-2-amino-N-[4-(dimethylamino)phenyl]-3-[4-(1-hydroxyethyl)phenyl]propanamide
CID 66751193
(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)-N-[4-(dimethylamino)phenyl]-2-(4-nitrophenyl)propanamide
CID 2111469
N-butan-2-yl-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzamide
CID 54782303
N-[4-(2-methylprop-2-enoxy)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782020
propyl 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoate
CID 54782126
N-[4-(tert-butylsulfamoyl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782075

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(dimethylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of (2S)-N-[4-(dimethylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide (CID 25019148) is (2S)-N-[4-(dimethylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for (2S)-N-[4-(dimethylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for (2S)-N-[4-(dimethylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide is CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of (2S)-N-[4-(dimethylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is XJGUXBHSPUYERW-INIZCTEOSA-N. The full InChI is InChI=1S/C21H28N2O/c1-15(2)14-17-6-8-18(9-7-17)16(3)21(24)22-19-10-12-20(13-11-19)23(4)5/h6-13,15-16H,14H2,1-5H3,(H,22,24)/t16-/m0/s1.
What are the key properties of (2S)-N-[4-(dimethylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
(2S)-N-[4-(dimethylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 324.47 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(dimethylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 25019148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).