(2S)-2-amino-N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]-N-methyl-3-(2-methylphenyl)propanamide

C25H28N2O2 — CID 102443672

IUPAC(2S)-2-amino-N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]-N-methyl-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1C[C@H](N)C(=O)N(C)[C@@H](c1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C25H28N2O2/c1-18-11-9-10-16-21(18)17-22(26)25(29)27(2)23(19-12-5-3-6-13-19)24(28)20-14-7-4-8-15-20/h3-16,22-24,28H,17,26H2,1-2H3/t22-,23-,24-/m0/s1
InChIKeyJPROSDNUUYPHMU-HJOGWXRNSA-N
MW388.51 g/mol
LogP3.80
Rot. Bonds7

About (2S)-2-amino-N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]-N-methyl-3-(2-methylphenyl)propanamide

(2S)-2-amino-N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]-N-methyl-3-(2-methylphenyl)propanamide (PubChem CID 102443672) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]-N-methyl-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]-N-methyl-3-(2-methylphenyl)propanamide
PubChem CID102443672
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name(2S)-2-amino-N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]-N-methyl-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1C[C@H](N)C(=O)N(C)[C@@H](c1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C25H28N2O2/c1-18-11-9-10-16-21(18)17-22(26)25(29)27(2)23(19-12-5-3-6-13-19)24(28)20-14-7-4-8-15-20/h3-16,22-24,28H,17,26H2,1-2H3/t22-,23-,24-/m0/s1
InChIKeyJPROSDNUUYPHMU-HJOGWXRNSA-N
XLogP3.80
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenylethyl (2S)-2-amino-3-(2-methylphenyl)propanoate
CID 57253473
(2S,3R)-2-amino-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methyl-3-phenylbutanamide
CID 134544444
(2S,3S)-2-amino-3-(furan-2-yl)-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylpropanamide
CID 134544678
benzyl (2S)-2-amino-3-(2-methylphenyl)propanoate
CID 139716301
(2R)-2-hydroxy-3-(2-methylphenyl)propanoic acid
CID 39237237
2-(aminomethyl)-N,N-dimethyl-3-(2-methylphenyl)propanamide
CID 62081363
tert-butyl (2R)-2-amino-3-(2-methylphenyl)propanoate
CID 134989278
(2S)-2-amino-N-[1-(2-methylphenyl)propan-2-yl]-2-phenylacetamide
CID 104897382
(2S,3S)-2-amino-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylpropanamide
CID 134544727
(2S)-2-amino-3-[2-(deuteriomethyl)phenyl]propanoic acid
CID 123633145
(3R)-3-amino-4-(2-methylphenyl)butanoic acid;hydrochloride
CID 24820268
2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 102065194

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]-N-methyl-3-(2-methylphenyl)propanamide?
The IUPAC name of (2S)-2-amino-N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]-N-methyl-3-(2-methylphenyl)propanamide (CID 102443672) is (2S)-2-amino-N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]-N-methyl-3-(2-methylphenyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]-N-methyl-3-(2-methylphenyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]-N-methyl-3-(2-methylphenyl)propanamide is Cc1ccccc1C[C@H](N)C(=O)N(C)[C@@H](c1ccccc1)[C@@H](O)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]-N-methyl-3-(2-methylphenyl)propanamide?
The InChIKey is JPROSDNUUYPHMU-HJOGWXRNSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-18-11-9-10-16-21(18)17-22(26)25(29)27(2)23(19-12-5-3-6-13-19)24(28)20-14-7-4-8-15-20/h3-16,22-24,28H,17,26H2,1-2H3/t22-,23-,24-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]-N-methyl-3-(2-methylphenyl)propanamide?
(2S)-2-amino-N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]-N-methyl-3-(2-methylphenyl)propanamide has a molecular weight of 388.51 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]-N-methyl-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 102443672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).