N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-2-(2-phenylphenoxy)acetamide

C25H28N2O2 — CID 8794949

IUPACN-[(2S)-2-(dimethylamino)-3-phenylpropyl]-2-(2-phenylphenoxy)acetamide
SMILESCN(C)[C@H](CNC(=O)COc1ccccc1-c1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H28N2O2/c1-27(2)22(17-20-11-5-3-6-12-20)18-26-25(28)19-29-24-16-10-9-15-23(24)21-13-7-4-8-14-21/h3-16,22H,17-19H2,1-2H3,(H,26,28)/t22-/m0/s1
InChIKeyBMLCTKPJVHYROH-QFIPXVFZSA-N
MW388.51 g/mol
LogP4.02
Rot. Bonds9

About N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-2-(2-phenylphenoxy)acetamide

N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-2-(2-phenylphenoxy)acetamide (PubChem CID 8794949) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-2-(2-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-3-phenylpropyl]-2-(2-phenylphenoxy)acetamide
PubChem CID8794949
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC NameN-[(2S)-2-(dimethylamino)-3-phenylpropyl]-2-(2-phenylphenoxy)acetamide
SMILESCN(C)[C@H](CNC(=O)COc1ccccc1-c1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H28N2O2/c1-27(2)22(17-20-11-5-3-6-12-20)18-26-25(28)19-29-24-16-10-9-15-23(24)21-13-7-4-8-14-21/h3-16,22H,17-19H2,1-2H3,(H,26,28)/t22-/m0/s1
InChIKeyBMLCTKPJVHYROH-QFIPXVFZSA-N
XLogP4.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-3-phenylpropyl]-2-(4-fluorophenoxy)acetamide
CID 51305430
N-(3-amino-2-methylpropyl)-2-(2-phenylphenoxy)acetamide
CID 119996389
2-(2-phenylphenoxy)-N-propylacetamide
CID 112788813
N-[2-(dimethylamino)-3-phenylpropyl]-3,3-dimethylbutanamide
CID 47007668
N-[2-(dimethylamino)-3-phenylpropyl]-2-methylbutanamide
CID 51075787
N-[2-(dimethylamino)-3-phenylpropyl]-3-(4-methoxyphenyl)propanamide
CID 51186444
N-[2-(dimethylamino)-3-phenylpropyl]-4-oxo-4-phenylbutanamide
CID 75844778
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-phenylphenoxy)acetamide
CID 7936643
N-[2-(dimethylamino)-3-phenylpropyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 47051922
3-methyl-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide
CID 9470420
N-[(2S)-3-methylbutan-2-yl]-2-(2-phenylphenoxy)acetamide
CID 8923326

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-2-(2-phenylphenoxy)acetamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-2-(2-phenylphenoxy)acetamide (CID 8794949) is N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-2-(2-phenylphenoxy)acetamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-2-(2-phenylphenoxy)acetamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-2-(2-phenylphenoxy)acetamide is CN(C)[C@H](CNC(=O)COc1ccccc1-c1ccccc1)Cc1ccccc1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-2-(2-phenylphenoxy)acetamide?
The InChIKey is BMLCTKPJVHYROH-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-27(2)22(17-20-11-5-3-6-12-20)18-26-25(28)19-29-24-16-10-9-15-23(24)21-13-7-4-8-14-21/h3-16,22H,17-19H2,1-2H3,(H,26,28)/t22-/m0/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-2-(2-phenylphenoxy)acetamide?
N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-2-(2-phenylphenoxy)acetamide has a molecular weight of 388.51 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-2-(2-phenylphenoxy)acetamide is sourced from PubChem (CID 8794949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).